Benzeneacetic acid, hydrazide

HCID 70301

Notes Reactions

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Basic information

CAS: 937-39-3
Standard SMILES: NNC(=O)Cc1ccccc1
InChIKey: FPTCVTJCJMVIDV-UHFFFAOYSA-N
Molecular formula: C8H10N2O
Average molar mass: 150.18 g/mol
Monoisotopic mass: 150.07931295

Names & identifiers

Preferred name: Benzeneacetic acid, hydrazide
IUPAC: 2-phenylacetohydrazide
English name: Phenylacetic acid hydrazide
Molecular formula: C8H10N2O
Molecular weight: 150.18

Names & synonyms

Benzeneacetic acid, hydrazide(2-Phenylacetyl)hydrazinePhenylacetohydrazidePhenylacetylhydrazinePhenylacetyl hydrazidePhenacetic acid hydrazideAcetic acid, phenyl-, hydrazideNSC 151437AI3-22890EINECS 213-328-6RefChem:562943Acetic acid, phenyl-, hydrazide (8CI)

Show more names

ASISCHEM R35457RARECHEM BG FB 0137PHENYLACETHYDRAZIDESPECS AN-068/40177140BenzeneacetohydrazideLABOTEST-BB LT00053677A-TOLUIC ACID HYDRAZIDE2-phenylethanehydrazide

213-328-62-Phenylacetohydrazide937-39-3Phenylacetic hydrazidePhenylacetic acid hydrazideMFCD000076122-phenylacetic hydrazidePhenyl-acetic acid hydrazide

Database identifiers

CAS: 937-39-3
PubChem CID: 70301
DTXSID: DTXSID0061327
ChEMBL: CHEMBL339003
UNII: E3Y5SE9D4G
EC Number: 213-328-6
Nikkaji: J124.087K

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 130

Physicochemical properties

Melting point: 115 · 115-116 °C(lit.)
Boiling point: 271.72 °C · 271.72°C (rough estimate)
Density: 1.1392 · 1.1392 (rough estimate)
refractive index: 1.618 · 1.6180 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO (Slightly), Methanol (Slightly)
pka: 13.07 · 13.07±0.18(Predicted)
form: Needles
color: White to beige
λmax: 205 nm · 205nm(MeOH)(lit.)
InChI: 1S/C8H10N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
InChIKey: FPTCVTJCJMVIDV-UHFFFAOYSA-N
SMILES: NNC(=O)Cc1ccccc1
CAS DataBase Reference: 937 · 937-39-3(CAS DataBase Reference)
FDA UNII: 3 Y5SE9D4G · E3Y5SE9D4G
EPA Substance Registry System: Benzeneacetic acid, hydrazide (937-39-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 301 · P301+P310
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
Safety Statements: 24 · 24/25
RIDADR: 2811 · UN 2811 6.1 / PGIII
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29280090 · 29280090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral

Safety & regulation

Safety data

wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1 / PGIII
hs_code: 29280090
risk_code: 22
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xi,Xn
safety_code: 24/25
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P301+P310