Basic information
- CAS
351000-45-8- Standard SMILES
CCc1ccc2c(Cl)c(C(=O)O)sc2c1- InChIKey
XLTCOYZLFMTWJI-UHFFFAOYSA-N- Molecular formula
- C11H9ClO2S
- Average molar mass
- 240.71 g/mol
- Monoisotopic mass
- 240.0011784
Names & identifiers
- Preferred name
- 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid
- IUPAC
- 3-chloro-6-ethyl-1-benzothiophene-2-carboxylic acid
- English name
- 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid
- Molecular formula
- C11H9ClO2S
- Molecular weight
- 240.71
Names & synonyms
3-chloro-6-ethyl-1-benzothiophene-2-carboxylic acid351000-45-8RefChem:500271817-384-83-chloro-6-ethylbenzo[b]thiophene-2-carboxylic acidMFCD019231813-chloro-6-ethyl-benzothiophene-2-carboxylic AcidSCHEMBL13819863ALBB-000959STK425661AKOS002286671CCG-175054
Show more names
IVK/90749803-chloro-6-ethyl-2-benzothiophenecarboxylic acidBenzo[b]thiophene-2-carboxylic acid, 3-chloro-6-ethyl-
VS-05428ST50496103EN300-75203G19131F0145883-Chloro-6-ethyl-benzo[b]thiophene-2-carboxylic acidZ228588996
Database identifiers
- CAS
351000-45-8- PubChem CID
- 904005
- EC Number
- 817-384-8
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 410.7 · 410.7±40.0 °C(Predicted)
- Density
- 1.413 · 1.413±0.06 g/cm3(Predicted)
- pka
- 2.36 · 2.36±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H302-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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