1-Benzothiophen-2-ylmethylamine

HCID 237074

Notes Reactions

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Basic information

CAS: 6314-43-8
Standard SMILES: NCc1cc2ccccc2s1
InChIKey: WKYFWFHTABURGB-UHFFFAOYSA-N
Molecular formula: C9H9NS
Average molar mass: 163.24 g/mol
Monoisotopic mass: 163.04557029

Names & identifiers

Preferred name: 1-Benzothiophen-2-ylmethylamine
IUPAC: 1-benzothiophen-2-ylmethanamine
English name: 1-Benzothiophen-2-ylmethylamine
Molecular formula: C9H9NS
Molecular weight: 163.24

Names & synonyms

1-benzothiophen-2-ylmethylamineRefChem:429628802-241-46314-43-8benzo[b]thiophen-2-ylmethanamineBenzo[b]thiophene-2-methanamine1-benzothiophen-2-ylmethanamineMFCD00965305(1-benzothiophen-2-yl)methanamineNSC40287NSC-402871-(1-benzothiophen-2-yl)methanamine

Show more names

benzothiophen-2-ylmethanamineBenzo[b]thiophene-2-methylamine1-Benzothiophene-2-ylmethylamineBenzo[b]thiophen-2-ylmethylamine2-(Aminomethyl)benzo[b]thiophene2-(Aminomethyl)-1-benzothiophene

Oprea1_6794042-(Aminomethyl)benzothiopheneSCHEMBL240588D9FKN7348U(1-benzothien-2-ylmethyl)amineCHEMBL1770735STK064350SY034711

Database identifiers

CAS: 6314-43-8
PubChem CID: 237074
DTXSID: DTXSID50285047
ChEMBL: CHEMBL1770735
UNII: D9FKN7348U
EC Number: 802-241-4
Nikkaji: J673.441C

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 54.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 58 °C · 58 °C
Boiling point: 110 · 110-12°C 0,25mm
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: solid
Appearance: White to off-white Solid
InChI: 1S/C9H9NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6,10H2
InChIKey: WKYFWFHTABURGB-UHFFFAOYSA-N
SMILES: NCc1cc2ccccc2s1
FDA UNII: 9 FKN7348U · D9FKN7348U
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS02
Signal word: Danger
Hazard statements: 314 · H314-H225-H290
Precautionary statements: 501 · P501-P240-P210-P233-P234-P243-P241-P242-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405
Hazard Codes: C,Xn
Risk Statements: 34 · 34-22
Safety Statements: 26 · 26-36/37/39
RIDADR: 3259 · 3259
WGK Germany: 3 · WGK 3
Hazard Note: Corrosive
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P363, 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

wgk: WGK 3
ridadr: 3259
hs_code: 2934999090
risk_code: 34-22
Signal word: Danger
Symbol(GHS): GHS05,GHS02
hazard_code: C,Xn
hazard_note: Corrosive
safety_code: 26-36/37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H314-H225-H290
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
Precautionary statements: P501-P240-P210-P233-P234-P243-P241-P242-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405