1-(5-Bromothiophen-2-yl)ethan-1-amine

HCID 4359396

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Basic information

CAS: 129605-38-5
Standard SMILES: CC(N)c1ccc(Br)s1
InChIKey: NYBMETYMNLJOEL-UHFFFAOYSA-N
Molecular formula: C6H8BrNS
Average molar mass: 206.11 g/mol
Monoisotopic mass: 204.95608236

Names & identifiers

Preferred name: 1-(5-Bromothiophen-2-yl)ethan-1-amine
IUPAC: 1-(5-bromothiophen-2-yl)ethanamine
English name: 1-(5-BROMOTHIEN-2-YL)ETHANAMINE
Molecular formula: C6H8BrNS
Molecular weight: 206.1

Names & synonyms

1-(5-bromothiophen-2-yl)ethan-1-amineRefChem:426325835-293-1129605-38-51-(5-bromothiophen-2-yl)ethanamine1-(5-bromothien-2-yl)ethanamine1-(5-Bromo-thiophen-2-yl)-ethylamine1-(5-Bromo-2-thienyl)ethanamineMFCD05215403(R)-1-(5-Bromo-thiophen-2-yl)-ethylamine(S)-1-(5-Bromo-thiophen-2-yl)-ethylamine1212930-29-4

Show more names

2-Thiophenemethanamine, 5-bromo-α-methyl-1-(5-Bromothiophen-2-yl)ethan-1-amine - [B93527]

2-Thiophenemethanamine, 5-bromo-alpha-methyl-SCHEMBL5047579DTXSID60402344NYBMETYMNLJOEL-UHFFFAOYSA-NALBB-000030AKOS005170891SB31799SB31807

Database identifiers

CAS: 129605-38-5
PubChem CID: 4359396
DTXSID: DTXSID60402344
EC Number: 835-293-1

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 54.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

Physicochemical properties

Boiling point: 254.6 · 254.6±25.0 °C(Predicted)
Density: 1.557 · 1.557±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 8.82 · 8.82±0.29(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 314 · H314-H332-H335-H302-H312
Precautionary statements: 280 · P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H314-H332-H335-H302-H312
Precautionary statements: P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501