Basic information
- CAS
751427-39-1- Standard SMILES
CNc1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1- InChIKey
CLEOENHXLJXIBB-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O2S
- Average molar mass
- 282.75 g/mol
- Monoisotopic mass
- 282.0229765
Names & identifiers
- Preferred name
- 2-(4-(4-Chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl)acetic acid
- IUPAC
- 2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]acetic acid
- English name
- [4-(4-Chloro-phenyl)-2-methylamino-thiazol-5-yl]-acetic acid
- Molecular formula
- C12H11ClN2O2S
- Molecular weight
- 282.75
Names & synonyms
751427-39-12-[4-(4-Chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]acetic acid2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-Thiazol-5-yl)acetic acid2-(4-(4-Chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl)acetic acidRefChem:456347996-105-2[4-(4-Chloro-phenyl)-2-methylamino-thiazol-5-yl]-acetic acid[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]acetic acidMFCD104903492-(4-(4-Chlorophenyl)-2-(methylamino)thiazol-5-yl)acetic acid5-thiazoleacetic acid, 4-(4-chlorophenyl)-2-(methylamino)-2-[4-(4-chlorophenyl)-2-(methylamino)thiazol-5-yl]acetic acid
Show more names
T5920198
ALBB-018391AKOS000302373LS-06064CS-0242719ST50532817EN300-254199H32614Z48861089
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Boiling point
- 493.3 · 493.3±55.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- 3.83 · 3.83±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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