2-Bromobenzylamine

HCID 334072
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Basic information

CAS
3959-05-5
Standard SMILES
NCc1ccccc1Br
InChIKey
NOYASZMZIBFFNZ-UHFFFAOYSA-N
Molecular formula
C7H8BrN
Average molar mass
186.05 g/mol
Monoisotopic mass
184.98401

Names & identifiers

Preferred name
2-Bromobenzylamine
IUPAC
(2-bromophenyl)methanamine
English name
2-BROMOBENZYLAMINE
Molecular formula
C7H8BrN
Molecular weight
186.05

Names & synonyms

2-BromobenzylamineDTXSID30318983RefChem:467217DTXCID60270106638-899-2(2-Bromophenyl)methanamine3959-05-5o-bromobenzylamine1-(2-bromophenyl)methanamine2-Bromo-benzylamine(2-bromophenyl)methylamineMFCD00025572
Show more names
ObretyliuM2-broMoaMineAURORA KA-7560RARECHEM AL BW 00082-Bromobenzylamine 97%2-Bromobenzylamine,98%2-Bromobenzenemethanamine
EN300-352372-brobenzylamineBenzenemethanamine, 2-bromo-(2-Bromophenyl)methanamine #SCHEMBL109674SCHEMBL622471SCHEMBL27306793SCHEMBL27343129

Database identifiers

CAS
3959-05-5
PubChem CID
334072
DTXSID
DTXSID30318983
EC Number
638-899-2
Nikkaji
J231.930F

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Melting point
36 °C · 36 °C
Boiling point
118 · 118-119°C 9mm
Density
1.481 · 1.481±0.06 g/cm3(Predicted)
refractive index
1.5875 · 1.5875-1.591
Flash point
118 · 118-119°C/9mm
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302+H312 (11.1%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]；H302 (44.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (44.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (44.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (44.4%)；Acute Tox. 4 (44.4%)；Skin Corr. 1B (100%)；Eye Dam. 1 (44.4%)

Safety data

ridadr
UN2735
hs_code
29214200
risk_code
34-21/22
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
C,Xi

Chemistry & industry

Applications

UsesPharmaceutical intermediates. As intermediate in organic synthesis.

Upstream & downstream products

Downstream products

Suppliers100 total

苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海伟聂化工科技有限公司13046668259 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

45 records
New reaction record

Compound notes

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