(5-Bromothiophen-2-yl)methanamine

HCID 23130577

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Basic information

CAS: 612499-04-4
Standard SMILES: NCc1ccc(Br)s1
InChIKey: RAVKMGSIHFLQJU-UHFFFAOYSA-N
Molecular formula: C5H6BrNS
Average molar mass: 192.08 g/mol
Monoisotopic mass: 190.94043229

Names & identifiers

Preferred name: (5-Bromothiophen-2-yl)methanamine
IUPAC: (5-bromothiophen-2-yl)methanamine
English name: 5-Bromothiophen-2-ylmethylamine
Molecular formula: C5H6BrNS
Molecular weight: 192.08

Names & synonyms

(5-bromothiophen-2-yl)methanamineRefChem:403887109-125-6612499-04-45-Bromothiophen-2-ylmethylamine1-(5-bromo-2-thienyl)methanamine5-BROMO-2-THIOPHENEMETHANAMINEMFCD06213820C-(5-BROMO-THIOPHEN-2-YL)-METHYLAMINE1-(5-Bromothiophen-2-yl)methanamine1-(5-bromo-2-thienyl)methanamine hydrochloride2-THIOPHENEMETHANAMINE, 5-BROMO-

Show more names

[(5-bromo-2-thienyl)methyl]amine hydrochlorideRARECHEM AL BW 2382CHEMBRDG-BB 4191314

SCHEMBL1164031(5-bromo-2-thienyl)methanamine(5-bromo-2-thienyl)methylamineDTXSID906308552-(Aminomethyl)-5-bromothiopheneRAVKMGSIHFLQJU-UHFFFAOYSA-NALBB-0269801-(5-bromo-2-thienyl)-methanamine

Database identifiers

CAS: 612499-04-4
PubChem CID: 23130577
DTXSID: DTXSID90630855
EC Number: 109-125-6

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 54.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 78.8

Physicochemical properties

Boiling point: 246.1 · 246.1±25.0 °C(Predicted)
Density: 1.669 · 1.669±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 8.36 · 8.36±0.29(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: T
Risk Statements: 25 · 25
Safety Statements: 45 · 45
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.