Basic information
- CAS
70076-04-9- Standard SMILES
CN(C)c1ccc(Br)c([N+](=O)[O-])c1- InChIKey
NMLRNMMRKWXQLD-UHFFFAOYSA-N- Molecular formula
- C8H9BrN2O2
- Average molar mass
- 245.07 g/mol
- Monoisotopic mass
- 243.98474
Names & identifiers
- Preferred name
- N-(4-Bromo-3-nitrophenyl)-N,N-dimethylamine
- IUPAC
- 4-bromo-N,N-dimethyl-3-nitroaniline
- English name
- (4-BroMo-3-nitro-phenyl)-diMethyl-aMine
- Molecular formula
- C8H9BrN2O2
- Molecular weight
- 245.07
Names & synonyms
N-(4-BROMO-3-NITROPHENYL)-N,N-DIMETHYLAMINERefChem:827226657-140-64-bromo-N,N-dimethyl-3-nitroaniline70076-04-9MFCD02062996(4-bromo-3-nitro-phenyl)-dimethyl-amine(4-bromo-3-nitrophenyl)dimethylamineSCHEMBL12643249DTXSID50352167ALBB-0236824-bromo-3-nitro-N,N-dimethylaniline
Show more names
Benzenamine, 4-bromo-N,N-dimethyl-3-nitro-
AKOS0159981714-bromo-N,N-dimethyl-3-nitro-anilineDS-5903ST012292SY420566CS-0186969C76231F335892
Database identifiers
- CAS
70076-04-9- PubChem CID
- 720606
- DTXSID
DTXSID50352167- EC Number
- 657-140-6
- Nikkaji
- J2.314.231G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Yellow to orange Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers9 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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