Basic information
- CAS
958-60-1- Standard SMILES
CCC(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
WPWSANGSIWAACK-UHFFFAOYSA-N- Molecular formula
- C10H12N4O4
- Average molar mass
- 252.23 g/mol
- Monoisotopic mass
- 252.08585488
Names & identifiers
- Preferred name
- 2-Butanone 2,4-Dinitrophenylhydrazone
- IUPAC
- N-(butan-2-ylideneamino)-2,4-dinitroaniline
- English name
- Ethyl methyl ketone 2,4-dinitrophenylhydrazone
- Molecular formula
- C10H12N4O4
- Molecular weight
- 252.23
Names & synonyms
2-Butanone 2,4-DinitrophenylhydrazoneEthyl Methyl Ketone 2,4-DinitrophenylhydrazoneN-(butan-2-ylideneamino)-2,4-dinitroaniline1-(butan-2-ylidene)-2-(2,4-dinitrophenyl)hydrazineButanone-DNPH(2E)-2-Butanone (2,4-dinitrophenyl)hydrazone #SCHEMBL22261608DTXSID80871816MSK1031AKOS030227969Methylathylketon-2,4-dinitrophenylhydrazonSY056380
Show more names
MEK-DNPH2-BUTANONE-DNPH2-Butanone-2,4-DNPH2-Butanone (MEK)-DNPHPendimethalin Impurity 192-butanone-2,4-dnph solution2-Butanone-DNPH as 2-ButanoneButanone-DNPH Solution, 300ppm2-BUTANONE-DNPH, 1X1ML, ACN 100UG/ML
2-Butanone 2-(2,4-dinitrophenyl)hydrazoneDB-260864N-(1-methylpropylideneamino)-2,4-dinitro-aniline
Database identifiers
- CAS
958-60-1
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Melting point
- 115 · 115-115.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 381.9 · 381.9±52.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- Flash point
- 2 °C · 2 °C
- storage temp.
- 20 °C · −20°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 14.04 · 14.04±0.10(Predicted)
- color
- Dark Yellow
- InChI
- 1S/C10H12N4O4/c1-3-7(2)11-12-9-5-4-8(13(15)16)6-10(9)14(17)18/h4-6,12H,3H2,1-2H3/b11-7+
- InChIKey
- WPWSANGSIWAACK-XFFZJAGNSA-N
- FDA UNII
- 9 DM5QL2GW2 · 9DM5QL2GW2
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- EL8400000
- ridadr
- UN 1648 3/PG 2
- risk_code
- 36/37/38-36-20/21/22-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn,F
- safety_code
- 26-36-36/37-16
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Butanone 2,4-Dinitrophenylhydrazone is a dinitrophenylhydrazone (DNPH) derivative of an aliphatic ketone found in mainstream cigarette smoke.
Suppliers40 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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
成都梓永智研生物科技有限公司17780686372 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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