4-Isocyanatobenzophenone
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Basic information
- CAS
63648-38-4- Standard SMILES
O=C=Nc1ccc(C(=O)c2ccccc2)cc1- InChIKey
UUUAWYNSKSCNMD-UHFFFAOYSA-N- Molecular formula
- C14H9NO2
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.06332853
Names & identifiers
- Preferred name
- 4-Isocyanatobenzophenone
- IUPAC
- (4-isocyanatophenyl)-phenylmethanone
- English name
- 4-ISOCYANATOBENZOPHENONE 97
- Molecular formula
- C14H9NO2
- Molecular weight
- 223.23
Names & synonyms
4-IsocyanatobenzophenoneDTXSID60306510RefChem:524297DTXCID40257637103-408-863648-38-4(4-isocyanatophenyl)(phenyl)methanone(4-isocyanatophenyl)-phenylmethanone(4-Isocyanatophenyl)phenylmethanoneMethanone, (4-isocyanatophenyl)phenyl-MFCD03701599NSC177020
Show more names
4-ISOCYANATOBENZOPHENONE 974-ISOCYANATOBENZOPHENONE 97%4-isocyanatophenyl)-phenylmethanon
Methanone, (4-isocyanatophenyl)phenyl- (9CI)SCHEMBL1450564-Isocyanatobenzophenone, 97%orb3022807TPL0203UUUAWYNSKSCNMD-UHFFFAOYSA-N(4-isocyanatophenyl)-phenyl-methanone4-ISOCYANATOBENZOPHENONE 97
Database identifiers
- CAS
63648-38-4- PubChem CID
- 301077
- DTXSID
DTXSID60306510- EC Number
- 103-408-8
- Nikkaji
- J2.249.712J
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 69 · 69-73 °C(lit.)
- Boiling point
- 357 · 357.0±25.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H334-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P342+P311
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38-42
- Safety Statements
- 23 · 23-26-36
- WGK Germany
- 3 · 3
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
Danger
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 20/21/22-36/37/38-42
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 23-26-36
- Hazard statements
- H302-H312-H315-H319-H332-H334-H335
- Precautionary statements
- P261-P280-P305+P351+P338-P342+P311
Related reactions
1 records
Compound notes
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