Introduction：Basic information about CAS 2131-55-7|4-chlorophenyl isothiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-chlorophenyl isothiocyanate |
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| CAS Number | 2131-55-7 | Molecular Weight | 169.631 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 250.2±13.0 °C at 760 mmHg |
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| Molecular Formula | C7H4ClNS | Melting Point | 42-44 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 105.1±19.8 °C |
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| Symbol |
GHS06, GHS08 | Signal Word | Danger |
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Names
| Name | 1-chloro-4-isothiocyanatobenzene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 250.2±13.0 °C at 760 mmHg |
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| Melting Point | 42-44 °C(lit.) |
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| Molecular Formula | C7H4ClNS |
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| Molecular Weight | 169.631 |
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| Flash Point | 105.1±19.8 °C |
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| Exact Mass | 168.975296 |
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| PSA | 44.45000 |
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| LogP | 3.91 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.594 |
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| InChIKey | MZZVFXMTZTVUFO-UHFFFAOYSA-N |
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| SMILES | S=C=Nc1ccc(Cl)cc1 |
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| Storage condition | Refrigerator (+4°C) |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX8473000
- CHEMICAL NAME :
- Isothiocyanic acid, p-chlorophenyl ester
- CAS REGISTRY NUMBER :
- 2131-55-7
- BEILSTEIN REFERENCE NO. :
- 0471610
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H4-Cl-N-S
- MOLECULAR WEIGHT :
- 169.63
- WISWESSER LINE NOTATION :
- SCNR DG
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
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- 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: 21,121,1971
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Safety Information
| Symbol |
GHS06, GHS08 |
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| Signal Word | Danger |
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| Hazard Statements | H301 + H311 + H331-H315-H317-H319-H334-H335 |
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| Precautionary Statements | P261-P280-P301 + P310-P305 + P351 + P338-P311 |
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| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R23/24/25;R36/37/38 |
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| Safety Phrases | S22-S26-S36/37/39-S45 |
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| RIDADR | UN 2206 6.1/PG 2 |
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| WGK Germany | 3 |
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| RTECS | NX8473000 |
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| Packaging Group | III |
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| Hazard Class | 8 |
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| HS Code | 2930909090 |
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Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Articles3
More Articles
| Efficacy of p-chlorophenylisothiocyanate (Sch 20350) against parasites of ruminants and horses. J. Parasitol. 67(6) , 964, (1981)
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| A solid phase traceless synthesis of 2-arylaminobenzimidazoles. Krchnák V, et al. Tetrahedron Lett. 42(9) , 1627-30, (2001)
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| Synthesis and anti-HIV activity of new chiral 1, 2, 4-triazoles and 1, 3, 4-thiadiazoles. Akhtar T, et al. Heteroatom Chem. 18(3) , 316-22, (2007)
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Synonyms
| Benzene,1-chloro-4-isothiocyanato |
| 1-chloro-4-isothiocyanato-benzene |
| 1-Chloro-4-isothiocyanatobenzene |
| Isothiocyanic Acid 4-Chlorophenyl Ester |
| p-Chlorophenyl Isothiocyanate |
| 4-Chlor-phenyl-isothiocyanat |
| Isothiocyanic acid,p-chlorophenyl ester |
| p-Cl-Ph-NCS |
| MFCD00004810 |
| Benzene, 1-chloro-4-isothiocyanato- |
| EINECS 218-358-3 |
| 4-chlorophenyl isothiocyanate |
