Basic information
- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1- InChIKey
WCBPJVKVIMMEQC-UHFFFAOYSA-N- Molecular formula
- C18H13N5O6
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 395.08658314
Names & identifiers
- Preferred name
- Hydrazine, 1,1-diphenyl-2-(2,4,6-trinitrophenyl)-
- IUPAC
- 1,1-diphenyl-2-(2,4,6-trinitrophenyl)hydrazine
- English name
- 1,1-Diphenyl-2-picrylhydrazine
- Molecular formula
- C18H13N5O6
- Molecular weight
- 395.33
Names & synonyms
1,1-Diphenyl-2-picrylhydrazine1707-75-11,1-Diphenyl-2-(2,4,6-trinitrophenyl)hydrazine2,2-Diphenyl-1-picrylhydrazineHydrazine, diphenylpicryl-Hydrazine, 1,1-diphenyl-2-picryl-Hydrazine, 1,1-diphenyl-2-(2,4,6-trinitrophenyl)-NSC 12563N,N-Diphenyl-N'-picrylhydrazineEINECS 216-953-2alpha,alpha-Diphenyl-beta-picrylhydrazinealpha,alpha-Diphenyl-beta-picryl hydrazide
Show more names
1,1-DIPHENYL-2-PICRYLHYD1,1-Diphenyl-2-picrylhydrazine 97%1,1-Diphenyl-2-picrylhydrazine >1,1-DIPHENYL-2-PICRYLHYDRAZINE 98+%
AI3-62728DTXSID8061896RefChem:788648DTXCID0035459Hydrazine, 1,1-diphenyl-2-picryl-(8CI)216-953-2DiphenylpicrylhydrazylDiphenylpicrylhydrazine
Database identifiers
- CAS
1707-75-1、1898-66-4- PubChem CID
- 74358
- DTXSID
DTXSID8061896- EC Number
- 216-953-2
- Nikkaji
- J203.091H
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 549
Physicochemical properties
- Melting point
- 174 °C · ~174 °C (dec.)(lit.)
- Boiling point
- 530.2 · 530.2±60.0 °C(Predicted)
- Density
- 1.539 · 1.539±0.06 g/cm3(Predicted)
- solubility
- soluble in Chloroform
- form
- powder to crystal
- pka
- -0.84 · -0.84±0.50(Predicted)
- color
- Orange to Brown to Dark red
- BRN
- 770319 · 770319
- InChI
- InChI=1S/C18H13N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19H
- InChIKey
- WCBPJVKVIMMEQC-UHFFFAOYSA-N
- SMILES
- N(C1=CC=CC=C1)(C1=CC=CC=C1)NC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1[N+]([O-])=O
- CAS DataBase Reference
- 1707 · 1707-75-1(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · Hydrazine, 1,1-diphenyl-2-(2,4,6-trinitrophenyl)- (1707-75-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 242 · H242-H302+H312+H332-H315-H317-H319-H334
- Precautionary statements
- 210 · P210-P235-P280-P304+P340+P312-P370+P378-P403
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36/37
- RIDADR
- 1325 · 1325
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 4.1 · 4.1
- PackingGroup
- III
- HS Code
- 29280000 · 29280000
- Storage Class
- 4.1 A · 4.1A - Other explosive hazardous materials
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Self-react. CSkin Irrit. 2Skin Sens. 1
Safety & regulation
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 40 reports by companies from 3 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
- ridadr
- 1325
- hs_code
- 29280000
- risk_code
- 20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 36/37
- hazard_class
- 4.1
- Storage Class
- 4.1A - Other explosive hazardous materials
- packing_group
- III
- Hazard statements
- H242-H302+H312+H332-H315-H317-H319-H334
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Self-react. CSkin Irrit. 2Skin Sens. 1
- Precautionary statements
- P210-P235-P280-P304+P340+P312-P370+P378-P403
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHydrazine, 1,1-diphenyl-2-(2,4,6-trinitrophenyl)-: INACTIVE
Applications
Uses1,1-Diphenyl-2-picrylhydrazine has been known to show antioxidant and anticancer properties.
Suppliers45 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Syntechem Co.,Ltd[email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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Aladdin Scientific[email protected]
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Dideu Industries Group Limited+8617392712697 · [email protected]
凌源贝卞森生物科技有限公司18642120371 · [email protected]
Related reactions
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