CAS 811810-67-0 5-Chloro-7-nitro-2,3-dihydro-1,3-benzoxazol-2-one (HCID 29976111)

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Basic information

CAS: 811810-67-0
Standard SMILES: O=c1[nH]c2cc(Cl)cc([N+](=O)[O-])c2o1
InChIKey: CRZGVTHVMCEWRC-UHFFFAOYSA-N
Molecular formula: C7H3ClN2O4
Average molar mass: 214.56 g/mol
Monoisotopic mass: 213.97813426

Names & identifiers

Preferred name: 5-Chloro-7-nitro-2,3-dihydro-1,3-benzoxazol-2-one
IUPAC: 5-chloro-7-nitro-3H-1,3-benzoxazol-2-one
English name: 5-Chloro-7-nitro-2(3H)-benzoxazolone
Molecular formula: C7H3ClN2O4
Molecular weight: 214.56

Names & synonyms

5-chloro-7-nitro-2,3-dihydro-1,3-benzoxazol-2-one5-CHLORO-7-NITRO-2(3H)-BENZOXAZOLONERefChem:534880617-205-1811810-67-05-chloro-7-nitrobenzo[d]oxazol-2(3h)-one5-chloro-7-nitro-3H-1,3-benzoxazol-2-one5-Chloro-7-nitrobenzoxazol-2(3H)-oneMFCD097536025-Chloro-7-nitro-1,3-benzoxazol-2(3H)-one5-Chloro-7-nitro-1,3-benSCHEMBL1248784

Show more names

Venadaparib Impurity 885-Chloro-7-nitro-3H-benzooxazol-2-one2(3H)-Benzoxazolone, 5-chloro-7-nitro-

DTXSID10652519CRZGVTHVMCEWRC-UHFFFAOYSA-NAC68635-Chloro-7-nitrobenzo[d]oxazol-2-olAKOS015945510SS-4541SY130159CS-0455881

Database identifiers

CAS: 811810-67-0
PubChem CID: 29976111
DTXSID: DTXSID10652519
EC Number: 617-205-1

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 84.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 279

Physicochemical properties

Density: 1.704 · 1.704±0.06 g/cm3(Predicted)
solubility: Ethanol, Methanol
form: Solid
pka: 6.98 · 6.98±0.70(Predicted)
color: Off-White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H332-H312
Precautionary statements: 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H332-H312
Precautionary statements: P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501