Basic information
- CAS
10255-95-5- Standard SMILES
NC(=O)C(C(N)=O)c1ccccc1- InChIKey
CPSUAFUQJBJMPO-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.07422756
Names & identifiers
- Preferred name
- 2-Phenylmalonamide
- IUPAC
- 2-phenylpropanediamide
- English name
- 2-Phenylmalonamide
- Molecular formula
- C9H10N2O2
- Molecular weight
- 178.19
Names & synonyms
2-PHENYLMALONAMIDE10255-95-5DTXSID00372653RefChem:265370DTXCID003236852-phenylpropanediamidePropanediamide, 2-phenyl-MFCD00051776phenylmethane-1,1-dicarboxamidephenylmalonamide2-phenyl-malonamideJS6RVR8ALX
Show more names
2-phenylmalondiamide
Maybridge1_000163MixCom1_000317Oprea1_415238SCHEMBL170040SCHEMBL2905276SCHEMBL9205835CPSUAFUQJBJMPO-UHFFFAOYSA-NSBB071439
Database identifiers
- CAS
10255-95-5- PubChem CID
- 2747536
- DTXSID
DTXSID00372653- UNII
- JS6RVR8ALX
- EC Number
- 680-898-4
- Nikkaji
- J2.320.522J
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Experimental & physicochemical properties
LogP-0.07
Physicochemical properties
- Melting point
- 233 · 233-235°C
- Boiling point
- 437.3 · 437.3±45.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.29 · 6.29±0.70(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 2446518 · 2446518
- 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
- Safety Statements
- 22 · 22-24/25
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
1 records
Compound notes
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