Basic information
- CAS
3085-54-9- Standard SMILES
Cc1ccc(NC=O)cc1- InChIKey
GRVKDWHXLFEVBP-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Names & identifiers
- Preferred name
- 4'-Methylformanilide
- IUPAC
- N-(4-methylphenyl)formamide
- English name
- 4-METHYLFORMANILIDE
- Molecular formula
- C8H9NO
- Molecular weight
- 135.16
Names & synonyms
3085-54-94'-MethylformanilideFormamide, N-(4-methylphenyl)-EINECS 221-400-3AI3-01418DTXSID50184864NSC 68098RefChem:506206DTXCID90107355221-400-3N-p-Tolylformamide4-Methylformanilide
Show more names
N-(4-TOLYL)FORMAMIDE4'-Methylformanilide>N-METHYL-N-PHENYLMETHANAMIDE
n-(4-methylphenyl)formamidep-Formotoluidide4-MethylphenylformamideMFCD00014124N-Formyl-p-toluidineN-(4-methylphenyl)carboxamideN-(p-Tolyl)formamideP-METHYLFORMANILIDE
Database identifiers
- CAS
3085-54-9- PubChem CID
- 76519
- DTXSID
DTXSID50184864- ChEMBL
CHEMBL3252141- EC Number
- 221-400-3
- Nikkaji
- J28.437H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
Experimental & physicochemical properties
LogP1.61
Physicochemical properties
- Melting point
- 51 · 51-55 °C(lit.)
- Boiling point
- 293.5 · 293.5±19.0 °C(Predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 15.01 · 15.01±0.70(Predicted)
- color
- White to Yellow to Orange
- BRN
- 2205371 · 2205371
- CAS DataBase Reference
- 3085 · 3085-54-9(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H331
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- wgk
- 3
- ridadr
- 2811
- hs_code
- 2924297099
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- safety_code
- 22-24/25
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H331
- Precautionary statements
- P261-P280h-P304+P340-P311a-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers36 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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