Basic information
- CAS
1157-84-2- Standard SMILES
O=[N+]([O-])c1ccc(N/N=C\c2ccccc2)c([N+](=O)[O-])c1- InChIKey
DZPRPFUXOZTWAJ-ZROIWOOFSA-N- Molecular formula
- C13H10N4O4
- Average molar mass
- 286.24 g/mol
- Monoisotopic mass
- 286.07020481
Overview
See other relationships...
Names & identifiers
- Preferred name
- N-[(Z)-benzylideneamino]-2,4-dinitroaniline
- IUPAC
- N-[(Z)-benzylideneamino]-2,4-dinitroaniline
- English name
- Benzaldehyde 2,4-dinitrophenylhydrazone
- Molecular formula
- C13H10N4O4
- Molecular weight
- 286.24
Names & synonyms
1157-84-2N-[(Z)-benzylideneamino]-2,4-dinitroanilineBenzaldehyde 2,4-DinitrophenylhydrazoneNSC3863NSC-3863Benzaldehyde,4-dinitrophenyl)hydrazoneBENZALDEHYDE-DNPHbenzaldehyde-2,4-dnphBenzaldehyde-DNPH solutionbenzaldehyde-2,4-dnph solutionBENZALDEHYDE (DNPH DERIVATIVE)Benzaldehyde-DNPH solution,3ppm
Show more names
Benzaldehyde-DNPH solution,10ppmBenzaldehyde-DNPH solution,15ppmbenzaldehyde-DNPH as benzaldehydeBENZALDEHYDE-2,4-DNPH, 100MG, NEAT
Database identifiers
- CAS
1157-84-2- PubChem CID
- 5378258
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Melting point
- 239 · 239-241 °C(lit.)
- Boiling point
- 458.5 · 458.5±45.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- Flash point
- 2 ℃ · 2℃
- storage temp.
- 2 · 2-8°C
- pka
- 11.21 · 11.21±0.10(Predicted)
- Stability
- Stable. Incompatible with strong oxidizing agents.
- Major Application
- environmental
- InChI
- 1S/C13H10N4O4/c18-16(19)11-6-7-12(13(8-11)17(20)21)15-14-9-10-4-2-1-3-5-10/h1-9,15H/b14-9+
- InChIKey
- DZPRPFUXOZTWAJ-NTEUORMPSA-N
- SMILES
- [O-][N+](=O)c1ccc(N\N=C\c2ccccc2)c(c1)[N+]([O-])=O
- CAS DataBase Reference
- 1157 · 1157-84-2(CAS DataBase Reference)
- UNSPSC Code
- 77101502 · 77101502
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS02
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
- ridadr
- UN 1648 3/PG 2
- risk_code
- 36/37/38-23/24/25-11-41-37/38-22-36-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
- hazard_code
- Xi,T,F,Xn
- safety_code
- 26-36-45-27-16-39-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H225-H302+H312+H332-H319-H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P210-P280-P305+P351+P338
Chemistry & industry
Applications
UsesBenzaldehyde-2,4-dinitrophenylhydrazone. Dyes and metabolites.
Suppliers47 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
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]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…