m-Toluamide

HCID 69253

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Basic information

CAS: 618-47-3
Standard SMILES: Cc1cccc(C(N)=O)c1
InChIKey: WGRPQCFFBRDZFV-UHFFFAOYSA-N
Molecular formula: C8H9NO
Average molar mass: 135.16 g/mol
Monoisotopic mass: 135.06841391

Names & identifiers

Preferred name: m-Toluamide
IUPAC: 3-methylbenzamide
English name: m-Toluamide
Molecular formula: C8H9NO
Molecular weight: 135.16

Names & synonyms

3-Methylbenzamidem-ToluamideNSC 2170EINECS 210-553-1AI3-26774DTXSID50210798RefChem:154891DTXCID80133289210-553-1WGRPQCFFBRDZFV-UHFFFAOYSA-N618-47-3Benzamide, 3-methyl-

Show more names

3-TOLUAMIDEMETA-TOLUAMIDEm-Toluamide,99%TIMTEC-BB SBB0078613-Methylbenzamide 99%Benzamide, 3-methyl- (9CI)

m-Methylbenzamide3-Methyl-benzamideMFCD00007990NSC2170SCHEMBL12798CHEMBL123572NSC-2170BDBM50106189

Database identifiers

CAS: 618-47-3
PubChem CID: 69253
DTXSID: DTXSID50210798
ChEMBL: CHEMBL123572
EC Number: 210-553-1
Nikkaji: J134.612A

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 133

Physicochemical properties

Melting point: 93 · 93-96 °C
Boiling point: 248.86 °C · 248.86°C (rough estimate)
Density: 1.1031 · 1.1031 (rough estimate)
refractive index: 1.5635 · 1.5635 (rough estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 16.11 · 16.11±0.50(Predicted)
color: White to Off-White
BRN: 1857374 · 1857374
InChI: 1S/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey: WGRPQCFFBRDZFV-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)C(N)=O
CAS DataBase Reference: 618 · 618-47-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29242998 · 29242998
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.