4-Methylbenzamide

HCID 69274
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Basic information

CAS
619-55-6
Standard SMILES
Cc1ccc(C(N)=O)cc1
InChIKey
UHBGYFCCKRAEHA-UHFFFAOYSA-N
Molecular formula
C8H9NO
Average molar mass
135.16 g/mol
Monoisotopic mass
135.06841391

Overview

P-toluamide is a member of benzamides.

Names & identifiers

Preferred name
4-Methylbenzamide
IUPAC
4-methylbenzamide
English name
p-Toluamide
Molecular formula
C8H9NO
Molecular weight
135.16

Names & synonyms

4-Methylbenzamidep-ToluamideBenzamide, 4-methyl-4-Methyl-benzamideUNII-N0V326V2F5TOLUAMIDE, P-NSC 2163EINECS 210-600-6N0V326V2F5NSC-2163CLADRIBINE IMPURITY F [EP IMPURITY]DTXSID2060705
Show more names
Cladribine Impurity FPTADN-TOLUAMIDE4-TOLUAMIDEp-TolylamideTolylsαureamidPARA-TOLUAMIDEp-Toluamide 99%
CLADRIBINE IMPURITY F (EP IMPURITY)RefChem:99844DTXCID6043177210-600-6InChI=1/C8H9NO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10UHBGYFCCKRAEHA-UHFFFAOYSA-N619-55-6p-Methylbenzamide

Database identifiers

CAS
619-55-6
PubChem CID
69274
DTXSID
DTXSID2060705
ChEMBL
CHEMBL3247924
ChEBI
CHEBI:191154
UNII
N0V326V2F5
EC Number
210-600-6
Nikkaji
J60.358I

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.18

Physicochemical properties

Melting point
161 · 161-163 °C (lit.)
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
soluble in Methanol

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
CV5570150
hs_code
29242990
risk_code
22-36

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzamide, 4-methyl-: ACTIVE
Applications · 4 items

Uses4-Methylbenzamide is used in preparation of high efficiency nitriding reagents.

Usesp-Toluamide has been used in preparation of p-toloyl isocyanate.

Usesp-Toluamide Mettler-Toledo calibration substance ME 30130597 is used to calibrate Mettler-Toledo melting point instruments.

General DescriptionMettler-Toledo calibration substance ME 30130597, p-toluamide is an analytical standard, ideal for use in the routine calibration of Mettler-Toledo melting point instrument. Its value is measured as a mean of 6 to 12 iterations using a Mettler-Toledo MP70 Excellence instrument that is calibrated with primary standards. The melting point determination is carried out by Capillary method in accordance with European Pharmacopeia (2.2.14.)

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Additional notes

DefinitionChEBI: P-toluamide is a member of benzamides.

Related reactions

14 records
New reaction record

Compound notes

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