Basic information
- Standard SMILES
NN=C(c1ccccc1)c1ccccc1- InChIKey
QYCSNMDOZNUZIT-UHFFFAOYSA-N- Molecular formula
- C13H12N2
- Average molar mass
- 196.25 g/mol
- Monoisotopic mass
- 196.10004839
Names & identifiers
- Preferred name
- Diphenylmethylidenehydrazine
- IUPAC
- benzhydrylidenehydrazine
- English name
- Benzophenone hydrazone
- Molecular formula
- C13H12N2
- Molecular weight
- 196.25
Names & synonyms
Benzophenone hydrazone5350-57-2(diphenylmethylene)hydrazineMethanone, diphenyl-, hydrazoneDiphenylmethanone hydrazoneBenzophenonehydrazoneBenzophenone, hydrazoneDiphenyl ketone hydrazoneNSC 43DiphenylmethylidenehydrazineS2WWI81YALEINECS 226-321-8
Show more names
Tazobactam Impurity 15Di(phenyl)methylidenehydrazine3-iodo-N-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamideBP hydrazoneBenzophenone hTIMTEC-BB SBB007642Benzophenone hydrazodiphenylketohydrazoneBENZOPHENONE HYDROZONE
NSC-43AI3-52536BENZOPHENONHYDRAZONEDTXSID6063806N-(DIPHENYLMETHYLENE)HYDRAZINEBenzophenone, hydrazone (6CI,7CI,8CI)RefChem:588935Methanone, diphenyl, hydrazone
Database identifiers
- CAS
5350-57-2- PubChem CID
- 79304
- DTXSID
DTXSID6063806- ChEMBL
CHEMBL1881268- UNII
- S2WWI81YAL
- EC Number
- 226-321-8
- Nikkaji
- J1.834A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
Solubility8.1 [ug/mL] (The mean of the results at pH 7.4)
Vapor Pressure0.000151 [mmHg]
Physical DescriptionWhite to yellow powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 95 · 95-98 °C (lit.)
- Boiling point
- 225 · 225-230 °C/55 mmHg (lit.)
- Density
- 1.1 · 1.1
- refractive index
- 1.5014 · 1.5014 (estimate)
- Flash point
- 146 °C · 146°C
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in ether, benzene, chloroform and other organic solvents.
- pka
- 1.44 · 1.44±0.70(Predicted)
- form
- Crystalline Needles or Crystalline Powder
- color
- White to yellow
- BRN
- 1910177 · 1910177
- InChI
- 1S/C13H12N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2
- InChIKey
- QYCSNMDOZNUZIT-UHFFFAOYSA-N
- SMILES
- N\N=C(/c1ccccc1)c2ccccc2
- CAS DataBase Reference
- 5350 · 5350-57-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 WWI81YAL · S2WWI81YAL
- NIST Chemistry Reference
- Methanone, diphenyl-, hydrazone(5350-57-2)
- EPA Substance Registry System
- Methanone, diphenyl-, hydrazone (5350-57-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- RTECS
- 4954487 · PC4954487
- TSCA
- TSCA listed
- HS Code
- 29280090 · 29280090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 10% (1 of 10) of reports.
Danger
H301 (80%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (80%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H401 (10%): Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]；H411 (80%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 10 reports by companies.；There are 4 notifications provided by 9 of 10 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Methanone, diphenyl-, hydrazone
Status: Active Update: 06-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21208
Benzophenone hydrazone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 134 mg/kg; [RTECS] May cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (80%)；Acute Tox. 4 (10%)；Skin Sens. 1 (80%)；Aquatic Acute 2 (10%)；Aquatic Chronic 2 (80%)
Regulatory information
Regulatory Information
Chemical: Methanone, diphenyl-, hydrazone
Status: Active Update: 06-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21208
Benzophenone hydrazone: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PC4954487
- hs_code
- 29280090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanone, diphenyl-, hydrazone: ACTIVE
Applications
UsesAn important compound in organic photochemistry and perfumery as well as in organic synthesis. Used in the antibiotics synthesis of 6-APA and 7-ACA of the carboxyl protecting groups and other organic compounds. Used as organic pigment and medical intermediate. It is used as a photoinitiator of UV-curing applications in inks, adhesive, coatings and optical fiber.
Upstream & downstream products
Upstream raw materials
Downstream products
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