Basic information
- CAS
480439-22-3- Standard SMILES
COc1ccc(-c2ccccc2)cc1N=C=O- InChIKey
HVVGPDSYJRMTFV-UHFFFAOYSA-N- Molecular formula
- C14H11NO2
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.07897859
Names & identifiers
- Preferred name
- 3-Isocyanato-4-methoxybiphenyl
- IUPAC
- 2-isocyanato-1-methoxy-4-phenylbenzene
- English name
- 3-Isocyanato-4-methoxybiphenyl 97
- Molecular formula
- C14H11NO2
- Molecular weight
- 225.24
Names & synonyms
3-Isocyanato-4-methoxybiphenyl480439-22-3DTXSID30393376RefChem:280136DTXCID20344236623-395-72-isocyanato-1-methoxy-4-phenylbenzene3-ISOCYANATO-4-METHOXY-1,1'-BIPHENYL1,1'-Biphenyl, 3-isocyanato-4-methoxy-SCHEMBL2487004SCHEMBL31243773HVVGPDSYJRMTFV-UHFFFAOYSA-N
Show more names
3-Isocyanato-4-methoxybiphenyl 972-methoxy-5-phenylphenyl isocyanate1,1-Biphenyl,3-isocyanato-4-methoxy-(9CI)
3-Isocyanato-4-methoxybiphenyl, 97%
Database identifiers
- CAS
480439-22-3- PubChem CID
- 3530992
- DTXSID
DTXSID30393376- EC Number
- 623-395-7
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 83 · 83-87 °C
- 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
- Safety Statements
- 22 · 22-26-36
- RIDADR
- 2811 · UN2811
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, 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
- ridadr
- UN2811
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 22-26-36
- hazard_class
- 6.1
- Hazard statements
- H302-H312-H315-H319-H332-H334-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P280-P305+P351+P338-P342+P311
Chemistry & industry
Suppliers3 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海桤源科技有限公司13818304948 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
2 records
Compound notes
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