CAS 120-72-9|Indole
| Common Name | Indole | ||
|---|---|---|---|
| CAS Number | 120-72-9 | Molecular Weight | 117.148 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 253.0±9.0 °C at 760 mmHg |
| Molecular Formula | C8H7N | Melting Point | 51-54 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 107.8±11.3 °C |
| Symbol | GHS05, GHS06, GHS09 | Signal Word | Danger |
Names
| Name | 1H-indole |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 253.0±9.0 °C at 760 mmHg |
| Melting Point | 51-54 °C(lit.) |
| Molecular Formula | C8H7N |
| Molecular Weight | 117.148 |
| Flash Point | 107.8±11.3 °C |
| Exact Mass | 117.057846 |
| PSA | 15.79000 |
| LogP | 2.14 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.681 |
| InChIKey | SIKJAQJRHWYJAI-UHFFFAOYSA-N |
| SMILES | c1ccc2[nH]ccc2c1 |
| Storage condition | 2-8°C |
| Stability | Stable, but may be light or air sensitive. Incompatible with strong oxidizing agents, iron and iron salts. |
| Water Solubility | 2.80 g/L (25 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,820,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1070 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 14,111,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 117 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 94,1620,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 225 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- KLWOAZ Klinische Wochenscrift. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.1- 1922- Volume(issue)/page/year: 35,504,1957
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 790 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - domestic
- DOSE/DURATION :
- 350 mg/kg/4W-I
- TOXIC EFFECTS :
- Blood - other changes
- REFERENCE :
- FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 38,868,1979 ** TUMORIGENIC DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1000 mg/kg/25W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia
- REFERENCE :
- KLWOAZ Klinische Wochenscrift. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.1- 1922- Volume(issue)/page/year: 35,504,1957
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2000 mg/kg/20W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumor types after systemic administration not seen spontaneously
- REFERENCE :
- AICCA6 Acta Unio Internationalis Contra Cancrum. (Louvain, Belgium) V.1-20, 1936-64. For publisher information, see IJCNAW. Volume(issue)/page/year: 19,660,1963
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 120 mg/kg/12W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - leukemia
- REFERENCE :
- VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 10(9),70,1964
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1200 mg/kg/93W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - leukemia
- REFERENCE :
- VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 20(8),75,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - T0819 No. of Facilities: 33 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 28314 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T0819 No. of Facilities: 2846 (estimated) No. of Industries: 12 No. of Occupations: 26 No. of Employees: 34484 (estimated) No. of Female Employees: 23811 (estimated)
Safety Information
| Symbol | GHS05, GHS06, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H311-H315-H318-H335-H400 |
| Precautionary Statements | P261-P273-P280-P305 + P351 + P338-P312 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R21/22;R36 |
| Safety Phrases | S26-S36/37/39-S60-S61-S45-S36/37 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 1 |
| RTECS | NL2450000 |
| Packaging Group | III |
| Hazard Class | 9 |
| HS Code | 2933990090 |
Customs
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 1H-Benzo[b]pyrrole |
| EINECS 204-420-7 |
| 2,3-Benzopyrrole |
| Indol |
| MFCD00005607 |
| Indole |
| UNII-8724FJW4M5 |
| 1H-Indole |
| 1-Azaindene |
| 2,3-Benzopyrole |
| Ketole |
| T56 BMJ |
| 1-Benzazole |
| benzazole |
| Benzo[b]pyrrole |
| Indole (8CI) |
| Benzopyrrole |
| 1H-Indole (9CI) |
