Basic information
- CAS
698-19-1- Standard SMILES
CNCc1ccccc1Br- InChIKey
TUADRPBKJHMHDH-UHFFFAOYSA-N- Molecular formula
- C8H10BrN
- Average molar mass
- 200.08 g/mol
- Monoisotopic mass
- 198.99966
Names & identifiers
- Preferred name
- 2-Bromo-N-methylbenzylamine
- IUPAC
- 1-(2-bromophenyl)-N-methylmethanamine
- English name
- (2-Bromobenzyl)methylamine
- Molecular formula
- C8H10BrN
- Molecular weight
- 200.08
Names & synonyms
698-19-12-Bromo-N-methylbenzylamineDTXSID80334931RefChem:467178DTXCID60286020626-705-91-(2-bromophenyl)-N-methylmethanamine(2-Bromobenzyl)methylamineN-Methyl-2-bromobenzylamineMFCD05262953[(2-bromophenyl)methyl](methyl)amineEN300-07483
Show more names
2-(2-broMophenyl)ethan-1-aMineSKL295(2-BROMOBENZYL)METHY(2-Bromobenzyl)methylamine95%2-Bromo-N-methylbenzylamine 97%2-Bromo-N-methyl-Benzenemethanamine
Benzenemethanamine, 2-bromo-N-methyl-N-Methyl-O-bromobenzylamine1-(2-bromophenyl)-N-methyl-methanamine2-bromo-N-methyl benzylamineSCHEMBL419400(2-Bromo-benzyl)-methyl-amineBDBM625951HMS1766O15
Database identifiers
- CAS
698-19-1- PubChem CID
- 522360
- DTXSID
DTXSID80334931- EC Number
- 626-705-9
- Nikkaji
- J848.843F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.3
Physicochemical properties
- Boiling point
- 71 · 71-74 °C2 mm Hg(lit.)
- Density
- 1.358 g/mL · 1.358 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5670(lit.)
- Flash point
- 220 °F · 220 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Viscous Liquid
- pka
- 9.14 · 9.14±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Sensitive
- Air Sensitive
- InChI
- 1S/C8H10BrN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
- InChIKey
- TUADRPBKJHMHDH-UHFFFAOYSA-N
- SMILES
- CNCc1ccccc1Br
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- hazard_class
- 8
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H412
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3
- Precautionary statements
- P264-P270-P273-P301+P312-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers81 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司
Related reactions
6 records
Compound notes
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