Basic information
- CAS
6832-87-7- Standard SMILES
CNc1ccccc1Br- InChIKey
SMVIAQFTVWDWDS-UHFFFAOYSA-N- Molecular formula
- C7H8BrN
- Average molar mass
- 186.05 g/mol
- Monoisotopic mass
- 184.98401
Names & identifiers
- Preferred name
- 2-Bromo-N-methylaniline
- IUPAC
- 2-bromo-N-methylaniline
- English name
- 2-Bromo-N-methylaniline 95
- Molecular formula
- C7H8BrN
- Molecular weight
- 186.05
Names & synonyms
2-Bromo-N-methylanilineDTXSID80318993RefChem:467175DTXCID10270116626-537-66832-87-72-bromo-N-methylbenzenamineMFCD06798064o-bromo-N-methylanilineBenzenamine, 2-bromo-N-methyl-NSC338420SCHEMBL989524
Show more names
2-BroMo-N-Methylaniline 95%2-Bromo-N-methylaniline 95
2-Bromo-N-methylaniline, 95%AKOS000253684NSC-3384202-bromo-N-methyl-anilineSCHEMBL1099658SCHEMBL1547816SCHEMBL3755930DS-17555
Database identifiers
- CAS
6832-87-7- PubChem CID
- 334086
- DTXSID
DTXSID80318993- EC Number
- 626-537-6
- Nikkaji
- J920.004E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Boiling point
- 107 · 107-109 °C/12 mmHg (lit.)
- Density
- 1.589 g/mL · 1.589 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.6070(lit.)
- Flash point
- 219 °F · 219 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Liquid
- pka
- 3.07 · 3.07±0.10(Predicted)
- color
- Brown
- InChI
- 1S/C7H8BrN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
- InChIKey
- SMVIAQFTVWDWDS-UHFFFAOYSA-N
- SMILES
- CNc1ccccc1Br
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- ridadr
- UN 3334
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
Uses2-Bromo-N-methylaniline can be used to synthesize benzimidazole derivatives, via one pot N-arylation of amides/cyclic amides in the presence of copper iodide nanoparticles. It can also be used in the synthesis of alkyltelluro-substituted aromatic amines, which can show radical trapping ability.
General Description2-Bromo-N-methylaniline can be synthesized via the reduction of 2-bromoformylanilide.
Upstream & downstream products
Downstream products
Suppliers96 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
上海策嵘生物科技有限公司[email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
Related reactions
7 records
Compound notes
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