Introduction：Basic information about CAS 6952-59-6|3-Bromobenzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Bromobenzonitrile |
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| CAS Number | 6952-59-6 | Molecular Weight | 182.017 |
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| Density | 1.6±0.1 g/cm3 | Boiling Point | 225.8±13.0 °C at 760 mmHg |
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| Molecular Formula | C7H4BrN | Melting Point | 38-40 °C(lit.) |
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| MSDS | USA | Flash Point | 90.3±19.8 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 3-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 | 225.8±13.0 °C at 760 mmHg |
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| Melting Point | 38-40 °C(lit.) |
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| Molecular Formula | C7H4BrN |
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| Molecular Weight | 182.017 |
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| Flash Point | 90.3±19.8 °C |
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| Exact Mass | 180.952698 |
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| PSA | 23.79000 |
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| LogP | 2.14 |
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| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
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| Index of Refraction | 1.606 |
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| InChIKey | STXAVEHFKAXGOX-UHFFFAOYSA-N |
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| SMILES | N#Cc1cccc(Br)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DI2459500
- CHEMICAL NAME :
- Benzonitrile, m-bromo-
- CAS REGISTRY NUMBER :
- 6952-59-6
- LAST UPDATED :
- 198611
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H4-Br-N
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 41,41,1986
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302-H312-H315-H319-H332-H335 |
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| Precautionary Statements | P261-P280-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;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 | S26-S36-S36/37/39 |
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| RIDADR | 3276 |
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| WGK Germany | 3 |
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| RTECS | DI2459500 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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| HS Code | 29269095 |
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Customs
| HS Code | 2926909090 |
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| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| Benzonitrile, 3-bromo- |
| m-bromobenzonitrile |
| 3-Bromobenzonitrile |
| Benzonitrile,m-bromo |
| Benzonitrile,3-bromo |
| MFCD00001796 |
| NCR CE |
| Benzonitrile, 3-bromo- (9CI) |
| 3-cyanobromobenzene |
| 1-Bromo-3-cyanobenzene |
| EINECS 230-127-9 |
| 3-Bromo benzonitrile |
