Basic information
- CAS
50528-73-9- Standard SMILES
O=C=Nc1ccc(OCc2ccccc2)cc1- InChIKey
HFIHSWMJFCMLJE-UHFFFAOYSA-N- Molecular formula
- C14H11NO2
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.07897859
Names & identifiers
- Preferred name
- 4-(Benzyloxy)phenyl isocyanate
- IUPAC
- 1-isocyanato-4-phenylmethoxybenzene
- English name
- 4-BENZYLOXYPHENYL ISOCYANATE
- Molecular formula
- C14H11NO2
- Molecular weight
- 225.24
Names & synonyms
4-(Benzyloxy)phenyl isocyanateRefChem:515257624-975-24-Benzyloxyphenyl isocyanate50528-73-91-(Benzyloxy)-4-isocyanatobenzene1-isocyanato-4-phenylmethoxybenzeneMFCD006730461-Benzyloxy-4-isocyanato-benzene4-(phenylmethoxy)benzenisocyanate4-Benyloxyphenyl isocyanate4-BENZYLOXYPHENylisoCYANATE
Show more names
4-Benyloxyphenylisocyanate4-Benzyloxyphenyl isocyanate,97%4-BENZYLOXYPHENYL ISOCYANATE 98%1-(Benzyloxy)-4-isocyanatobenzene, Benzyl 4-isocyanatophenyl ether
NSC82829Benzene, 1-isocyanato-4-(phenylmethoxy)-p-benzyloxyphenylisocyanate4-benzyloxy-phenylisocyanateSCHEMBL241348DTXSID20292460HFIHSWMJFCMLJE-UHFFFAOYSA-NGEO-02581
Database identifiers
- CAS
50528-73-9- PubChem CID
- 256268
- DTXSID
DTXSID20292460- EC Number
- 624-975-2
- Nikkaji
- J3.021.523K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 60 · 60-62 °C(lit.)
- Boiling point
- 129 °C0.2 · 129 °C0.2 mm Hg(lit.)
- Density
- 1.1508 · 1.1508 (rough estimate)
- refractive index
- 1.578 · 1.5780 (estimate)
- storage temp.
- 0 · 0-6°C
- CAS DataBase Reference
- 50528 · 50528-73-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2206 · 2206
- WGK Germany
- 3 · 3
- Hazard Note
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
- ridadr
- 2206
- hs_code
- 29291000
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers21 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
青岛海力诺化工有限公司[email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
Related reactions
8 records
Compound notes
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