Basic information
- CAS
74772-17-1- Standard SMILES
O=C(O)c1sccc1-n1cccc1- InChIKey
WSCYUZJLJQNLSQ-UHFFFAOYSA-N- Molecular formula
- C9H7NO2S
- Average molar mass
- 193.22 g/mol
- Monoisotopic mass
- 193.01974964
Names & identifiers
- Preferred name
- 3-(1H-pyrrol-1-yl)thiophene-2-carboxylic acid
- IUPAC
- 3-pyrrol-1-ylthiophene-2-carboxylic acid
- English name
- 3-(1H-Pyrrol-1-yl)thiophene-2-carboxylic acid
- Molecular formula
- C9H7NO2S
- Molecular weight
- 193.22
Names & synonyms
74772-17-13-(1H-pyrrol-1-yl)thiophene-2-carboxylic acid3-(1H-Pyrrol-1-Yl)-2-Thiophenecarboxylic AcidDTXSID10380163RefChem:489840DTXCID00331189831-072-93-pyrrol-1-ylthiophene-2-carboxylic acidMFCD001004452-Thiophenecarboxylicacid, 3-(1H-pyrrol-1-yl)-Bionet2_0006513-Pyrrol-1-yl-thiophene-2-carboxylic acid
Show more names
BUTTPARK 98\18-68RARECHEM AL BE 12953-Pyrrol-1-yl-thiophene-2-carboxylic3-(1-pyrrolyl)-2-thiophenecarboxylic acid2-Thiophenecarboxylic acid, 3-(1H-pyrrol-1-yl)-
Oprea1_797235SCHEMBL1520640CHEBI:194827WSCYUZJLJQNLSQ-UHFFFAOYSA-NHMS1365N13ZCA77217SBB091585STL133430
Database identifiers
- CAS
74772-17-1- PubChem CID
- 2776534
- DTXSID
DTXSID10380163- ChEBI
CHEBI:194827
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 166 °C · 166 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- 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
- 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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335-H302
- 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
Upstream & downstream products
Upstream raw materials
Suppliers7 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
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]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: 3-(1H-pyrrol-1-yl)thiophene-2-carboxylic acid is a thiophenecarboxylic acid.
Related reactions
7 records
Compound notes
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