p-Cyanobenzamide

HCID 76427

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3034-34-2
Standard SMILES: N#Cc1ccc(C(N)=O)cc1
InChIKey: FUKWTMJZHKZKFA-UHFFFAOYSA-N
Molecular formula: C8H6N2O
Average molar mass: 146.15 g/mol
Monoisotopic mass: 146.04801281

Names & identifiers

Preferred name: p-Cyanobenzamide
IUPAC: 4-cyanobenzamide
English name: 4-Cyanobenzamide
Molecular formula: C8H6N2O
Molecular weight: 146.15

Names & synonyms

4-Cyanobenzamide3034-34-2p-CyanobenzamideBenzamide, 4-cyano-Benzamide, p-cyano-BRN 2043265EINECS 221-223-13P9UG7V78S4-09-00-03327 (Beilstein Handbook Reference)DTXSID90184424RefChem:858044Benzamide, p-cyano-(8CI)

Show more names

cyanobenzamide4-cyanobenamide4-cyano-benzamidp-cyano-benzamidP-CYANO BENZAMIDE4-Cyanobenzamide,98%4-Cyanobenzamide >4-CYANOBENZAMIDE 95+%

DTXCID00106915221-223-1MFCD000171334-Cyano-benzamideUNII-3P9UG7V78SSCHEMBL322070RS-1015C1594

Database identifiers

CAS: 3034-34-2
PubChem CID: 76427
DTXSID: DTXSID90184424
UNII: 3P9UG7V78S
EC Number: 221-223-1
Nikkaji: J29.493D

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 66.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 195

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

LogP0.48

Physicochemical properties

Melting point: 227 °C · 227 °C
Boiling point: 265.75 °C · 265.75°C (rough estimate)
Density: 1.2312 · 1.2312 (rough estimate)
refractive index: 1.49 · 1.4900 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 15.18 · 15.18±0.50(Predicted)
color: White to Light yellow
CAS DataBase Reference: 3034 · 3034-34-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 3 P9UG7V78S · 3P9UG7V78S
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 301 · H301-H335-H302-H315-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38-21/22
Safety Statements: 26 · 26-37/39-36/37
RIDADR: 3439 · 3439
RTECS: 2484500 · CV2484500
HazardClass: 6.1 · 6.1
HS Code: 29269095 · 29269095
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P273, 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 139 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

rtecs: CV2484500
ridadr: 3439
hs_code: 29269095
risk_code: 20/21/22-36/37/38-21/22
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xn
safety_code: 26-37/39-36/37
hazard_class: 6.1
Hazard statements: H301-H335-H302-H315-H319
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P261-P280a-P301+P310a-P305+P351+P338-P405-P501a