Basic information
- CAS
28439-86-3- Standard SMILES
CCCCOc1ccc(N=C=O)cc1- InChIKey
ASFIDVOMDQBCNP-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- 1-Butoxy-4-isocyanatobenzene
- IUPAC
- 1-butoxy-4-isocyanatobenzene
- English name
- 4-N-BUTOXYPHENYL ISOCYANATE
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
28439-86-31-butoxy-4-isocyanatobenzeneDTXSID80377803RefChem:228995DTXCID40328831622-980-44-N-Butoxyphenyl Isocyanate4-Butoxyphenyl isocyanate4-N-BUTOXYPHENYLISOCYANATEMFCD000370421-butoxy-4-isocyanato-benzeneBENZENE, 1-BUTOXY-4-ISOCYANATO-
Show more names
4-butoxybenzenisocyanateSCHEMBL4141684-Butoxyphenyl isocyanate, 98%ASFIDVOMDQBCNP-UHFFFAOYSA-NGEO-00606AKOS000171298ST50825320EN300-235674
Database identifiers
- CAS
28439-86-3- PubChem CID
- 2769629
- DTXSID
DTXSID80377803- EC Number
- 622-980-4
- Nikkaji
- J307.816G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 150 °C3 · 150 °C3 mm Hg(lit.)
- Density
- 1.055 g/mL · 1.055 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.522(lit.)
- Flash point
- 230 °F · >230 °F
- Sensitive
- Moisture Sensitive
- BRN
- 2107851 · 2107851
- CAS DataBase Reference
- 28439 · 28439-86-3
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H319-H332-H334-H335
- Precautionary statements
- 260 · P260-P280h-P305+P351+P338-P309-P310
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 23 · 23-26-36
- RIDADR
- 2206 · UN 2206 6.1/PG 3
- WGK Germany
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 (11.4%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (11.4%)
Safety data
- wgk
- 3
- ridadr
- UN 2206 6.1/PG 3
- hs_code
- 29291090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 23-26-36
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H315-H319-H332-H334-H335
- Precautionary statements
- P260-P280h-P305+P351+P338-P309-P310
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers15 total
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
北京康睿智科技有限公司18911799491 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
7 records
Compound notes
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