Basic information
- CAS
1942-61-6- Standard SMILES
O=C=Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
HICXYNWIRHBSKQ-UHFFFAOYSA-N- Molecular formula
- C13H9N3O
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.07456192
Names & identifiers
- Preferred name
- Diazene, 1-(4-isocyanatophenyl)-2-phenyl-
- IUPAC
- (4-isocyanatophenyl)-phenyldiazene
- English name
- Azobenzene-4-yl isocyanate
- Molecular formula
- C13H9N3O
- Molecular weight
- 223.23
Names & synonyms
Diazene, (4-isocyanatophenyl)phenyl-Isocyanic acid, p-(phenylazo)phenyl esterNSC 36192AI3-52612Diazene, 1-(4-isocyanatophenyl)-2-phenyl-RefChem:586339(E)-1-(4-isocyanatophenyl)-2-phenyldiazene321951-62-6p-Isocyanatoazobenzene1942-61-6(4-isocyanatophenyl)-phenyldiazeneMFCD00152743
Show more names
4-IsocyanatoazobenzeneAzobenzene-4-yl isocyanate
(E)-(4-isocyanatophenyl)(phenyl)diazene1-(4-Isocyanatophenyl)-2-phenyldiazeneNSC36192(4-ISOCYANATOPHENYL)(PHENYL)DIAZENE4-Benzolazo-phenylisocyanatSCHEMBL9356486SCHEMBL9356492DTXSID3062079
Database identifiers
- CAS
1942-61-6、321951-62-6- PubChem CID
- 74747
- DTXSID
DTXSID3062079- EC Number
- 808-986-1
- Nikkaji
- J421.598B
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 54.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 97 · 97-98 °C
- Boiling point
- 359.2 · 359.2±25.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- EPA Substance Registry System
- Diazene, (4-isocyanatophenyl)phenyl- (1942-61-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDiazene, 1-(4-isocyanatophenyl)-2-phenyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers15 total
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
河南氢硅新材料科技有限公司00-18037331-859 18037331859 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
沈阳莫德医药科技有限公司024-23982345 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京健傲医药科技有限公司18915922978 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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