Basic information
- CAS
49674-15-9- Standard SMILES
N#Cc1cc(Br)cc([N+](=O)[O-])c1- InChIKey
RQGCXODNTLHVQJ-UHFFFAOYSA-N- Molecular formula
- C7H3BrN2O2
- Average molar mass
- 227.01 g/mol
- Monoisotopic mass
- 225.93778944
Names & identifiers
- Preferred name
- 3-Bromo-5-nitrobenzonitrile
- IUPAC
- 3-bromo-5-nitrobenzonitrile
- English name
- 3-Bromo-5-nitrobenzonitrile
- Molecular formula
- C7H3BrN2O2
- Molecular weight
- 227.01
Names & synonyms
3-bromo-5-nitrobenzonitrile49674-15-9DTXSID60408907RefChem:93212DTXCID70359759801-037-2MFCD00463804Benzonitrile, 3-bromo-5-nitro-3-NITRO-5-BROMOBENZONITRILESCHEMBL3511140ZBA67415STK365704
Show more names
AKOS005442639AS-42006SY2967941-Bromo-3-cyano-5-nitrobenzene3-bromo-5-nitro-benzonitrileSCHEMBL9096955-bromo-3-nitrobenzenecarbonitrileDA-17599
Database identifiers
- CAS
49674-15-9- PubChem CID
- 5152425
- DTXSID
DTXSID60408907- EC Number
- 801-037-2
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 84 · 84-85℃
- Boiling point
- 283 ℃ · 283℃
- Density
- 1.81 · 1.81
- Flash point
- 125 ℃ · 125℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- color
- Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- Hazard Codes
- Xi
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers65 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海今寅生物科技有限公司021-20986266 18019349802 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
7 records
Compound notes
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