Basic information
- CAS
30012-01-2- Standard SMILES
Cc1sccc1CC(=O)O- InChIKey
WLWMZUZOBOPULL-UHFFFAOYSA-N- Molecular formula
- C7H8O2S
- Average molar mass
- 156.2 g/mol
- Monoisotopic mass
- 156.02450067
Names & identifiers
- Preferred name
- 2-Methyl-3-thiopheneacetic acid
- IUPAC
- 2-(2-methylthiophen-3-yl)acetic acid
- English name
- (2-Methyl-thiophen-3-yl)-acetic acid
- Molecular formula
- C7H8O2S
- Molecular weight
- 156.2
Names & synonyms
30012-01-22-methyl-3-thiopheneacetic acidRefChem:2633282-(2-methylthiophen-3-yl)acetic Acid(2-Methyl-thiophen-3-yl)-acetic acid2-(2-methyl-3-thienyl)acetic acidMFCD00297148(2-methylthiophen-3-yl)acetic acidstarbld0041424SCHEMBL1136796DTXSID001304956FBA01201
Show more names
BIO-FARMA BF0023563-Thiopheneacetic acid, 2-methyl-
AKOS000511464SY157654CS-0236607ST51049511EN300-172026SR-01000415881SR-01000415881-1F0452-0693
Database identifiers
- CAS
30012-01-2- PubChem CID
- 768693
- DTXSID
DTXSID001304956- EC Number
- 981-266-3
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 68.3 · 68.3-69.3 °C(Solv: hexane (110-54-3))
- Boiling point
- 286.7 · 286.7±25.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 4.26 · 4.26±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
1 records
Compound notes
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