(Phenylmethyl)hydrazine

HCID 11157

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 555-96-4
Standard SMILES: NNCc1ccccc1
InChIKey: NHOWLEZFTHYCTP-UHFFFAOYSA-N
Molecular formula: C7H10N2
Average molar mass: 122.17 g/mol
Monoisotopic mass: 122.08439832

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name: (Phenylmethyl)hydrazine
IUPAC: benzylhydrazine
English name: Benzylhydrazine
Molecular formula: C7H10N2
Molecular weight: 122.17

Names & synonyms

Benzylhydrazine555-96-4HYDRAZINE, BENZYL-(Phenylmethyl)hydrazine9VP7PK6UMVDTXSID2043749RefChem:118945DTXCID0023749611-286-7Hydrazine, (phenylmethyl)-benzyl-hydrazinebenzyl hydrazine

Show more names

1-BenzylhydrazineBenzylhydazinebenzyl-hydrazinBENZYLHYDRAZINE HCIHydrazine, (phenylmethyl)- (9ci)

MFCD00869518Benzyl hydrazideBRN 0742269phenylmethylhydrazineHydrazine, (phenylmethyl)-, dihydrochlorideBenzyl-hydrazine hydrochlorideUNII-9VP7PK6UMVHydrazine,(phenylmethyl)-

Database identifiers

CAS: 555-96-4
PubChem CID: 11157
DTXSID: DTXSID2043749
ChEMBL: CHEMBL1231544
UNII: 9VP7PK6UMV
EC Number: 611-286-7
Nikkaji: J37.761I

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 67.3

Physicochemical properties

Melting point: 112 °C · 112 °C
Boiling point: 217.6 °C · 217.6°C (rough estimate)
Density: 1.0343 · 1.0343 (rough estimate)
refractive index: 1.504 · 1.5040 (estimate)
storage temp.: -20 °C, · -20°C, stored under nitrogen
pka: 8.45 · 8.45±0.70(Predicted)
form: Liquid
Appearance: Colorless to light yellow Liquid
CAS DataBase Reference: 555 · 555-96-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 9 VP7PK6UMV · 9VP7PK6UMV
NIST Chemistry Reference: Benzylhydrazine(555-96-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Risk Statements: 36 · 36
Safety Statements: 26 · 26
Toxicity: 10 mmol/L · oms-bcs 10 mmol/L MUREAV 5,343,68

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (80%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (80%)

Safety data

Toxicity: oms-bcs 10 mmol/L MUREAV 5,343,68
risk_code: 36
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c