2-bromo-N,N-dimethylbenzylamine

HCID 74792CAS 1976-04-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)Cc1ccccc1Br
InChIKey
ZPZPSZZVDFMNQS-UHFFFAOYSA-N
Molecular formula
C9H12BrN
Average molar mass
214.1 g/mol
Monoisotopic mass
213.01531148

Names & identifiers

Preferred name
2-bromo-N,N-dimethylbenzylamine
IUPAC
1-(2-bromophenyl)-N,N-dimethylmethanamine
English name
2-bromo-N,N-dimethylbenzylamine
Molecular formula
C9H12BrN
Molecular weight
214.1

Names & synonyms

2-Bromo-N,N-dimethylbenzylamine1-(2-bromophenyl)-n,n-dimethylmethanamineBenzenemethanamine, 2-bromo-N,N-dimethyl-2-Bromo-N,N-dimethylbenzenemethanamine4P3Z3AG3G7NSC-54514NSC-62161ZPZPSZZVDFMNQS-UHFFFAOYSA-DTXSID00173440EINECS 217-831-1NSC 54514NSC 62161
Show more names
2-Brom-N,N-dimethylbenzylamin(2-BROMOBENZYL)DIMETHYLBENZYLAMINE(2-Bromophenyl)-N,N-dimethylmethylamine
RefChem:85826DTXCID3095931217-831-1InChI=1/C9H12BrN/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7H2,1-2H3ZPZPSZZVDFMNQS-UHFFFAOYSA-N1976-04-1(2-BROMOBENZYL)DIMETHYLAMINE[(2-bromophenyl)methyl]dimethylamine

Database identifiers

CAS
1976-04-1
PubChem CID
74792
DTXSID
DTXSID00173440
UNII
4P3Z3AG3G7
EC Number
217-831-1
Nikkaji
J199.794G

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Melting point
124 · 124-126 °C
Boiling point
108 · 108-112 °C(Press: 20 Torr)
Density
1.32 · 1.320±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, protect from light
pka
8.32 · 8.32±0.28(Predicted)
Appearance
Colorless to light yellow Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 2 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 CategoriesAcute Tox. 4 (50%)

Safety data

ridadr
1760
hs_code
2921490090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant

Chemistry & industry

Applications

Uses2-bromo-N,N-dimethylbenzylamine can be used as a pharmaceutical intermediate.

Upstream & downstream products

Suppliers21 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司18455579438
阳谷荣科商贸有限公司15863541132 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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