Benzo(b)thiophen-4-ylamine
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Basic information
- CAS
17402-83-4- Standard SMILES
Nc1cccc2sccc12- InChIKey
IRMXPESEXLQKHG-UHFFFAOYSA-N- Molecular formula
- C8H7NS
- Average molar mass
- 149.21 g/mol
- Monoisotopic mass
- 149.0299204
Names & identifiers
- Preferred name
- Benzo(b)thiophen-4-ylamine
- IUPAC
- 1-benzothiophen-4-amine
- English name
- 1-BENZOTHIEN-4-YLAMINE
- Molecular formula
- C8H7NS
- Molecular weight
- 149.21
Names & synonyms
BENZO[B]THIOPHEN-4-YLAMINEBenzo(b)thiophen-4-ylamineRefChem:565167675-053-1Benzo[b]thiophen-4-amine17402-83-44-Aminobenzo[b]thiophene1-benzothien-4-ylamine1-benzothiophen-4-amineMFCD018602884-Aminobenzo[b]thiophenee4-aminobenzothiophene
Show more names
4-Aminobenzo[b]thiophene, CAS 17402-83-43-aMino-1-benzyl-1H-1$l^{4}-thiophen-1-yl1-BENZOTHIEN-4-YLAMINE ISO 9001：2015 REACH
NSC-1706494-Aminobenzo[b]thiophen4-AminothionaphtheneNSC170649benzothiophen-4-amineTDV33TF5QAbenzo[b]thiophene-4-ylamine(Benzo[b]thien-4-yl)amine
Database identifiers
- CAS
17402-83-4- PubChem CID
- 298484
- DTXSID
DTXSID50305395- ChEMBL
CHEMBL5199861- UNII
- TDV33TF5QA
- EC Number
- 675-053-1
- Nikkaji
- J82.620K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 139 · 139-140 °C
- Boiling point
- 135 · 135-140 °C(Press: 4 Torr)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 3.96 · 3.96±0.10(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H315-H319-H227
- Precautionary statements
- 501 · P501-P261-P270-P210-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P403+P235-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301+H311+H331-H315-H319-H227
- Precautionary statements
- P501-P261-P270-P210-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P403+P235-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
7 records
Compound notes
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