Introduction：Basic information about CAS 2042-37-7|2-Bromobenzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Bromobenzonitrile |
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| CAS Number | 2042-37-7 | Molecular Weight | 182.017 |
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| Density | 1.6±0.1 g/cm3 | Boiling Point | 252.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C7H4BrN | Melting Point | 53-57 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 113.7±22.6 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 2-Bromobenzonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
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| Boiling Point | 252.0±0.0 °C at 760 mmHg |
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| Melting Point | 53-57 °C(lit.) |
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| Molecular Formula | C7H4BrN |
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| Molecular Weight | 182.017 |
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| Flash Point | 113.7±22.6 °C |
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| Exact Mass | 180.952698 |
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| PSA | 23.79000 |
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| LogP | 2.23 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.606 |
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| InChIKey | AFMPMSCZPVNPEM-UHFFFAOYSA-N |
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| SMILES | N#Cc1ccccc1Br |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DI2459750
- CHEMICAL NAME :
- Benzonitrile, 2-bromo-
- CAS REGISTRY NUMBER :
- 2042-37-7
- BEILSTEIN REFERENCE NO. :
- 2042185
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H4-Br-N
- MOLECULAR WEIGHT :
- 182.03
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,906,1978
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
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| Hazard Codes | Xn:Harmful |
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| Risk Phrases | R20/21/22;R36/37/38 |
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| Safety Phrases | S22-S24/25-S36/37/39-S26 |
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| RIDADR | 3276 |
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| WGK Germany | 2 |
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| RTECS | DI2459750 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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| HS Code | 2926909090 |
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Customs
| HS Code | 2926909033 |
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| Summary | HS:2926909033 2-bromobenzonitrile VAT:17.0% Tax rebate rate:9.0% Supervision conditions:S MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| Benzonitrile,o-bromo |
| 1-Bromo-2-cyanobenzene |
| Benzonitrile,2-bromo |
| 2-Bromobenzonitrile |
| NCR BE |
| 2-cyanophenyl bromide |
| 2-Bromobenzenecarbonitrile |
| 2-Cyanobromobenzene |
| o-bromobenzonitrile |
| bromobenzonitrile |
| Benzonitrile, 2-bromo- |
| 2-bromo-benzonitrile |
| o-Bromocyanobenzene |
| MFCD00001772 |
| EINECS 218-045-1 |
