Introduction：Basic information about CAS 2392-68-9|3-chlorophenyl isothiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-chlorophenyl isothiocyanate |
|---|
| CAS Number | 2392-68-9 | Molecular Weight | 169.63100 |
|---|
| Density | 1.292 | Boiling Point | 249-250 °C |
|---|
| Molecular Formula | C7H4ClNS | Melting Point | / |
|---|
| MSDS | ChineseUSA | Flash Point | >110°C |
|---|
| Symbol |
GHS07 | Signal Word | Warning |
|---|
Names
| Name | 1-chloro-3-isothiocyanatobenzene |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.292 |
|---|
| Boiling Point | 249-250 °C |
|---|
| Molecular Formula | C7H4ClNS |
|---|
| Molecular Weight | 169.63100 |
|---|
| Flash Point | >110°C |
|---|
| Exact Mass | 168.97500 |
|---|
| PSA | 44.45000 |
|---|
| LogP | 3.07430 |
|---|
| Vapour Pressure | 0.0361mmHg at 25°C |
|---|
| Index of Refraction | 1.658-1.66 |
|---|
| InChIKey | WGXCKFMVBAOIFH-UHFFFAOYSA-N |
|---|
| SMILES | S=C=Nc1cccc(Cl)c1 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX8474500
- CHEMICAL NAME :
- Isothiocyanic acid, 3-chlorophenyl ester
- CAS REGISTRY NUMBER :
- 2392-68-9
- BEILSTEIN REFERENCE NO. :
- 0636856
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H4-Cl-N-S
- MOLECULAR WEIGHT :
- 169.63
- WISWESSER LINE NOTATION :
- SCNR CG
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966
|
Safety Information
| Symbol |
GHS07 |
|---|
| Signal Word | Warning |
|---|
| Hazard Statements | H302 + H312 + H332-H315-H319-H335 |
|---|
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
|---|
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
|---|
| Hazard Codes | Xn:Harmful; |
|---|
| Risk Phrases | R23/24/25;R36/37/38 |
|---|
| Safety Phrases | S45-S36/37/39-S26-S37/39 |
|---|
| RIDADR | 2810 |
|---|
| RTECS | NX8474500 |
|---|
| Packaging Group | III |
|---|
| Hazard Class | 8 |
|---|
| HS Code | 2930909090 |
|---|
Customs
| HS Code | 2930909090 |
|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
|---|
Articles2
More Articles
| Synthesis and evaluation of urea and thiourea derivatives of oxazolidinones as antibacterial agents. Chem. Pharm. Bull. 55(2) , 236-40, (2007) Urea and thiourea derivatives of oxazolidinones were synthesized and their inhibitory activity (MIC) was determined on the bacterial strains which includes clinical isolates and quality control organi... | |
| Synthesis and antimicrobial activity of novel naphtho [2, 1-b] furo-5H-[3, 2-d][1, 3, 4] thiadiazolo [3, 2-a] pyrimidin-5-ones. Ravindra KC, et al. ARKIVOC 11(1) , (2008)
| |
Synonyms
| Isothiocyanic acid,3-chlorophenyl ester |
| MFCD00004805 |
| 3-Chlorophenylisothiocyanate |
| Isothiocyanic acid,m-chlorophenyl ester |
| m-chlorophenyl isothiocyanate |
| 1-chloro-3-isothiocyanato-benzene |
| Benzene,1-chloro-3-isothiocyanato |
