4,4'-Methylenebis(2-chlorophenyl isocyanate)
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Basic information
- CAS
20513-43-3- Standard SMILES
O=C=Nc1ccc(Cc2ccc(N=C=O)c(Cl)c2)cc1Cl- InChIKey
ZDYCFBQYDDRHRI-UHFFFAOYSA-N- Molecular formula
- C15H8Cl2N2O2
- Average molar mass
- 319.1 g/mol
- Monoisotopic mass
- 317.9962829
Names & identifiers
- Preferred name
- 4,4'-Methylenebis(2-chlorophenyl isocyanate)
- IUPAC
- 2-chloro-4-[(3-chloro-4-isocyanatophenyl)methyl]-1-isocyanatobenzene
- English name
- 4,4'-METHYLENEBIS(2-CHLOROPHENYL ISOCYANATE)
- Molecular formula
- C15H8Cl2N2O2
- Molecular weight
- 319.14
Names & synonyms
4,4'-Methylenebis(2-chlorophenyl isocyanate)RefChem:506798630-676-820513-43-32-chloro-4-[(3-chloro-4-isocyanatophenyl)methyl]-1-isocyanatobenzene2-chloro-4-[(3-chloro-4-isocyanato-phenyl)methyl]-1-isocyanato-benzeneNSC525982SCHEMBL475946DTXSID40326256NSC-5259821,1'-Methylenebis(3-chloro-4-isocyanatobenzene)4 4'-METHYLENEBIS(2-CHLOROPHENYL ISO- &
Show more names
Benzene, 1,1'-methylenebis[3-chloro-4-isocyanato-
Database identifiers
- CAS
20513-43-3- PubChem CID
- 352345
- DTXSID
DTXSID40326256- EC Number
- 630-676-8
- Nikkaji
- J804.028A
Properties
Computed structural propertiesFilling in
- XLogP
- 6.7
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Melting point
- 103 · 103-106 °C(lit.)
- Boiling point
- 415.5 · 415.5±45.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H312-H302-H335-H332-H319
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- wgk
- 3
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H315-H312-H302-H335-H332-H319
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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