CAS 945-22-2 2-Hydroxy-3-nitrobenzenecarbohydrazide (HCID 11367606)

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Basic information

CAS: 945-22-2
Standard SMILES: NNC(=O)c1cccc([N+](=O)[O-])c1O
InChIKey: VOIQCDFMTVQLRZ-UHFFFAOYSA-N
Molecular formula: C7H7N3O4
Average molar mass: 197.15 g/mol
Monoisotopic mass: 197.04365571

Names & identifiers

Preferred name: 2-Hydroxy-3-nitrobenzenecarbohydrazide
IUPAC: 2-hydroxy-3-nitrobenzohydrazide
English name: 2-hydroxy-3-nitrobenzenecarbohydrazide
Molecular formula: C7H7N3O4
Molecular weight: 197.15

Names & synonyms

2-hydroxy-3-nitrobenzenecarbohydrazide945-22-22-hydroxy-3-nitrobenzohydrazideMFCD019302732-hydroxy-3-nitro-benzohydrazide3-nitrosalicylohydrazide2-???-6-nitrophenol2-hydroxy-3-nitrobenzhydrazideSCHEMBL7539226DTXSID30463689VOIQCDFMTVQLRZ-UHFFFAOYSA-NSBB092118

Show more names

3-nitro-salicylhydrazideBenzoic acid, 2-hydroxy-3-nitro-, hydrazide

AKOS005072489EB-08202-hydroxy-3-nitrobenzenecarbohydrazide, 945-22-2, 2-???-6-nitrophenol, AGN-PC-007OSY, SureCN7539226, hydroxynitrobenzenecarbohydrazide, 2-hydroxy-3-nitrobenzohydrazide, CTK5H6764, MolPort-009-195-888, SBB092118, AKOS005072489, AG-H-90282, EB-0820, RP11595, KB-230810, FT-0680958, Benzoic acid, 2-hydroxy-3-nitro-, hydrazide, I01-16093

Database identifiers

CAS: 945-22-2
PubChem CID: 11367606
DTXSID: DTXSID30463689

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 121 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 240

Physicochemical properties

Melting point: 206 · 206-208°
Density: 1.549 · 1.549±0.06 g/cm3(Predicted)
pka: 5.68 · 5.68±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 data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Suppliers14 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]

山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]

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]

Related reactions

4 records

New reaction record

HRID 146558As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1281659As productuspto-grants-2002_09

HRID 1281660As reactantuspto-grants-2002_09

HRID 1564583As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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