3-(Thiophen-3-yl)aniline
Basic information
- CAS
161886-96-0- Standard SMILES
Nc1cccc(-c2ccsc2)c1- InChIKey
SHUODWYRFVFGOA-UHFFFAOYSA-N- Molecular formula
- C10H9NS
- Average molar mass
- 175.25 g/mol
- Monoisotopic mass
- 175.04557046
Names & identifiers
- Preferred name
- 3-(Thiophen-3-yl)aniline
- IUPAC
- 3-thiophen-3-ylaniline
- English name
- 3-THIEN-3-YLANILINE
- Molecular formula
- C10H9NS
- Molecular weight
- 175.25
Names & synonyms
3-(thiophen-3-yl)anilineRefChem:496268886-703-0161886-96-03-thien-3-ylaniline3-Thiophen-3-yl-phenylamine3-thiophen-3-ylanilineBenzenamine, 3-(3-thienyl)-MFCD067401693-(3-thienyl)aniline3-(3-Aminophenyl)thiophene3-(Thien-3-yl)aniline
Show more names
3-THIEN-3-YLANILINE 97%3-(3-thienyl)phenylamine3-(3-Thienyl)benzenamineAKOS BAR-03673-(Thien-3-yl)aniline97%orb3031536SCHEMBL2481528SCHEMBL3783580
Database identifiers
- CAS
161886-96-0- PubChem CID
- 4130337
- DTXSID
DTXSID50399658- EC Number
- 886-703-0
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 89 °C · 89 °C
- Boiling point
- 312.5 · 312.5±25.0 °C(Predicted)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- form
- powder
- pka
- 4.3 · 4.30±0.10(Predicted)
- color
- Light brown
- CAS DataBase Reference
- 161886 · 161886-96-0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P312
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- HS Code
- 2934999090 · 2934999090
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)
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
- hs_code
- 2934999090
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P301+P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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