Basic information
- CAS
19739-40-3- Standard SMILES
O=C(O)Cn1c(=O)oc2cc(Cl)ccc21- InChIKey
GZVFFZYANBZGHW-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO4
- Average molar mass
- 227.6 g/mol
- Monoisotopic mass
- 226.9985354
Names & identifiers
- Preferred name
- (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid
- IUPAC
- 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetic acid
- English name
- 3(2H)-benzoxazoleacetic acid, 6-chloro-2-oxo-
- Molecular formula
- C9H6ClNO4
- Molecular weight
- 227.6
Names & synonyms
19739-40-3(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetic acid2-(6-chloro-2-oxobenzo[d]oxazol-3(2H)-yl)acetic acid3(2H)-Benzoxazoleacetic acid, 6-chloro-2-oxo-2-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetic acidMFCD01831817(6-Chloro-2-oxo-benzooxazol-3-yl)-acetic acidOprea1_651560SCHEMBL2978251GZVFFZYANBZGHW-UHFFFAOYSA-NHMS1648M22
Show more names
BAS 103075942-(6-chloro-2-keto-1,3-benzoxazol-3-yl)acetic acid2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethanoic acid
ALBB-012647STK801721AKOS000579484N-carboxymethyl-6-chloro-2-benzoxazoloneFC122223LS-03964EU-0066565ST50290032
Database identifiers
- CAS
19739-40-3- PubChem CID
- 776366
- EC Number
- 174-099-5
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 230 · 230-231 °C
- Boiling point
- 426.7 · 426.7±55.0 °C(Predicted)
- Density
- 1.611 · 1.611±0.06 g/cm3(Predicted)
- pka
- 3.79 · 3.79±0.10(Predicted)
- 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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
5 records
Compound notes
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