Introduction：Basic information about CAS 2131-59-1|3-bromophenyl isothiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-bromophenyl isothiocyanate |
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| CAS Number | 2131-59-1 | Molecular Weight | 214.08200 |
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| Density | 1.5g/cm3 | Boiling Point | 256 °C |
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| Molecular Formula | C7H4BrNS | Melting Point | 26 °C |
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| MSDS | ChineseUSA | Flash Point | >110°C |
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| Symbol |
GHS07, GHS08 | Signal Word | Danger |
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Names
| Name | 1-bromo-3-isothiocyanatobenzene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.5g/cm3 |
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| Boiling Point | 256 °C |
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| Melting Point | 26 °C |
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| Molecular Formula | C7H4BrNS |
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| Molecular Weight | 214.08200 |
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| Flash Point | >110°C |
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| Exact Mass | 212.92500 |
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| PSA | 44.45000 |
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| LogP | 3.18340 |
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| Vapour Pressure | 0.0253mmHg at 25°C |
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| Index of Refraction | 1.685 |
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| InChIKey | ZMGMGHNOACSMQN-UHFFFAOYSA-N |
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| SMILES | S=C=Nc1cccc(Br)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX8350000
- CHEMICAL NAME :
- Isothiocyanic acid, m-bromophenyl ester
- CAS REGISTRY NUMBER :
- 2131-59-1
- BEILSTEIN REFERENCE NO. :
- 2081173
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H4-Br-N-S
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01285
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Safety Information
| Symbol |
GHS07, GHS08 |
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| Signal Word | Danger |
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| Hazard Statements | H302 + H312 + H332-H315-H319-H334-H335 |
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| Precautionary Statements | P261-P280-P305 + P351 + P338-P342 + P311 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
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| Hazard Codes | Xn: Harmful;C: Corrosive; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S36/37/39-S26-S45-S36/37-S22 |
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| RIDADR | 2810 |
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| RTECS | NX8350000 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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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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Synonyms
| Isothiocyanic Acid 3-Bromophenyl Ester |
| Benzene,1-bromo-3-isothiocyanato |
| EINECS 210-753-9 |
| 3-Brom-phenylisothiocyanat |
| meta-bromophenyl isothiocyanate |
| MFCD00004803 |
| 1-bromo-3-isothiocyanato-benzene |
| 3-BroMophenyl Isothiocyanate |
| 3-bromobenzenisothiocyanate |
| ISOTHIOCYANIC ACID,m-BROMOPHENYL ESTER |
| m-Bromophenyl isothiocyanate |
| 3-Brom-phenylsenfoel |
