Basic information
- CAS
16587-40-9- Standard SMILES
Cc1cc2cccc(C)c2s1- InChIKey
DNEXCQLUONZSTB-UHFFFAOYSA-N- Molecular formula
- C10H10S
- Average molar mass
- 162.25 g/mol
- Monoisotopic mass
- 162.05032149
Names & identifiers
- Preferred name
- Benzo(b)thiophene, 2,7-dimethyl-
- IUPAC
- 2,7-dimethyl-1-benzothiophene
- English name
- 2,7-Dimethylbenzo[b]thiophene
- Molecular formula
- C10H10S
- Molecular weight
- 162.25
Names & synonyms
16587-40-92,7-Dimethyl-1-benzothiopheneBenzo(b)thiophene, 2,7-dimethyl-Benzo[b]thiophene, 2,7-dimethyl-DTXSID70168045RefChem:565170DTXCID6090536990-317-92,7-Dimethylbenzo[b]thiophene2,7-dimethylbenzothiopheneMFCD006424802,7-Dimethyl-benzothiophene
Show more names
Benzothiophene, 2,7-dimethylSCHEMBL147113SCHEMBL5542613DNEXCQLUONZSTB-UHFFFAOYSA-NRAA58740SY209306EN300-253459G73404
Database identifiers
- CAS
16587-40-9- PubChem CID
- 85502
- DTXSID
DTXSID70168045- EC Number
- 990-317-9
- Nikkaji
- J101.438B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 74.5 °C · 74.5 °C(Press: 1 Torr)
- Density
- 1.114 · 1.114±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Colorless to light yellow Liquid
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, 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%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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