p-Toluohydrazide

HCID 77174

Notes Reactions

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Basic information

CAS: 3619-22-5
Standard SMILES: Cc1ccc(C(=O)NN)cc1
InChIKey: MFFVZXOPRXMVET-UHFFFAOYSA-N
Molecular formula: C8H10N2O
Average molar mass: 150.18 g/mol
Monoisotopic mass: 150.07931294

Names & identifiers

Preferred name: p-Toluohydrazide
IUPAC: 4-methylbenzohydrazide
English name: P-TOLUIC HYDRAZIDE
Molecular formula: C8H10N2O
Molecular weight: 150.18

Names & synonyms

4-Methylbenzohydrazide3619-22-5p-Toluic hydrazidep-Toluoylhydrazinep-Toluohydrazidep-Methylbenzohydrazidep-Toluic acid, hydrazideBenzoic acid, 4-methyl-, hydrazide4-Methylbenzoic acid hydrazidep-Methylbenzoylhydrazine4-Methylbenzoylhydrazine4-Toluic hydrazide

Show more names

AKOS BBS-00004511LABOTEST-BB LT00454017p-Toluichydrazide,98+%

4-Toluic acid hydrazidep-Methylbenzoic acid hydrazide4-Methylbenzhydrazide4-Methylbenzoylhydrazide(4-Methylbenzoyl)hydrazineNSC 615674-METHYLBENZOIC HYDRAZIDE4-TOLUIHYDRAZIDE

Database identifiers

CAS: 3619-22-5
PubChem CID: 77174
DTXSID: DTXSID30189756
ChEMBL: CHEMBL4126349
UNII: M48968U0YD
EC Number: 222-815-2
Nikkaji: J124.088I

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 139

Experimental & physicochemical properties

LogP0.73

Physicochemical properties

Melting point: 116 · 116-118 °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
form: powder to crystal
pka: 12.8 · 12.80±0.10(Predicted)
color: White to Almost white
λmax: 198 nm · 198nm(MeOH)(lit.)
BRN: 607602 · 607602
InChI: 1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
InChIKey: MFFVZXOPRXMVET-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)C(=O)NN
CAS DataBase Reference: 3619 · 3619-22-5(CAS DataBase Reference)
FDA UNII: 48968 U0YD · M48968U0YD
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29280090 · 29280090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (87%): 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)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.