CAS 95-49-8|2-Chlorotoluene
| Common Name | 2-Chlorotoluene | ||
|---|---|---|---|
| CAS Number | 95-49-8 | Molecular Weight | 126.584 |
| Density | 1.082 | Boiling Point | 157-159 ºC |
| Molecular Formula | C7H7Cl | Melting Point | -36 ºC |
| MSDS | ChineseUSA | Flash Point | 47 ºC |
| Symbol | GHS02, GHS06, GHS08 | Signal Word | Danger |
Names
| Name | 2-Chlorotoluene |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.082 |
|---|---|
| Boiling Point | 157-159 ºC |
| Melting Point | -36 ºC |
| Molecular Formula | C7H7Cl |
| Molecular Weight | 126.584 |
| Flash Point | 47 ºC |
| Exact Mass | 126.023628 |
| LogP | 3.27 |
| Vapour density | 4.38 (vs air) |
| Vapour Pressure | 3.8±0.3 mmHg at 25°C |
| Index of Refraction | 1.524-1.526 |
| InChIKey | IBSQPLPBRSHTTG-UHFFFAOYSA-N |
| SMILES | Cc1ccccc1Cl |
| Water Solubility | slightly soluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3900 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - tremor Behavioral - excitement
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(10),56,1981
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4400 ppm
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- 85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,308,1991
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5700 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(12),64,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2500 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - tremor Behavioral - excitement
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(10),56,1981
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4400 ppm
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- 85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,308,1991
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(12),64,1980
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 4400 ppm
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- 85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,308,1991
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - excitement Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 46(2),67,1981 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 35910 mg/kg/9W-I
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 46(2),67,1981 *** REVIEWS *** ACGIH TLV-TWA 259 mg/m3 (50 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 50 ppm (250 mg/m3);STEL 75 ppm (375 mg/m3) JAN 1993 OEL-BELGIUM:TWA 50 ppm (259 mg/m3);STEL 75 ppm (388 mg/m3) JAN 1993 OEL-DENMARK:TWA 50 ppm (250 mg/m3);Skin JAN 1993 OEL-FINLAND:TWA 50 ppm (260 mg/m3);STEL 75 ppm (390 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 50 ppm (250 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 50 ppm (250 mg/m3);Skin JAN 1993 OEL-RUSSIA:STEL 10 mg/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 50 ppm (250 mg/m3);Skin JAN 1993 OEL-UNITED KINGDOM:TWA 50 ppm (250 mg/m3) JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO o-CHLOROTOLUENE-air:10H TWA 50 ppm;STEL 75 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1254 No. of Facilities: 62 (estimated) No. of Industries: 2 No. of Occupations: 8 No. of Employees: 11617 (estimated) No. of Female Employees: 963 (estimated)
Safety Information
| Symbol | GHS02, GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H301 + H311 + H331-H360-H370 |
| Precautionary Statements | P201-P210-P260-P280-P301 + P310 + P330-P308 + P311-P403 + P233 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US) |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R20;R51/53 |
| Safety Phrases | S24/25-S61-S45-S36/37-S16-S7 |
| RIDADR | UN 2238 3/PG 3 |
| WGK Germany | 2 |
| RTECS | XS9000000 |
| Packaging Group | III |
| Hazard Class | 3 |
| HS Code | 29036990 |
Customs
| HS Code | 2903999090 |
|---|---|
| Summary | 2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
Articles12
More Articles| QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES. Eur. J. Med. Chem. 43 , 714-40, (2008) Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org... | |
| Vibrational spectroscopic analysis of 2-chlorotoluene and 2-bromotoluene: A combined experimental and theoretical study Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 77(5) , 1005-13, (2010) In this work, the vibrational spectral analysis was carried out using Raman and infrared spectroscopy in the range 100–4000 cm −1 and 50–4000 cm −1, respectively, for the title molecules. The molecula... | |
| Molecular structure and vibrational spectra of o-chlorotoluene, m-chlorotoluene, and p-chlorotoluene by ab initio HF and DFT calculations. Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 78(3) , 1126-32, (2011) In this work, experimental and theoretical study on the molecular structure and the vibrational spectra of o-chlorotoluene (OCT), m-chlorotoluene (MCT) and p-chlorotoluene (PCT) are presented. The vib... |
Synonyms
| O-Methyl-capsaicin |
| ortho-chlorotoluene |
| Benzene, 1-chloro-2-methyl- |
| Methylcapsaicin |
| markiertes Capsaicin |
| EINECS 202-424-3 |
| o-Tolyl chloride |
| mono-chlorotoluene |
| 2-Chlorotoluene |
| o-methylchlorobenzne |
| 2-tolyl chloride |
| 6-Nonenamide,N-((3,4-dimethoxyphenyl)methyl)-8-methyl-,(E) |
| 1-Chloro-2-methylbenzene |
| o-chlorotoluene |
| MFCD00000562 |
