Basic information
- CAS
112057-91-7- Standard SMILES
[C-]#[N+]CCc1ccc(OC)cc1- InChIKey
PDTUZGARTMXQDY-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)ethylisocyanide
- IUPAC
- 1-(2-isocyanoethyl)-4-methoxybenzene
- English name
- 2-(4-Methoxyphenyl)ethylisocyanide
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
112057-91-72-(4-Methoxyphenyl)ethylisocyanideDTXSID80332316RefChem:252569DTXCID702834091-(2-isocyanoethyl)-4-methoxybenzene1-(2-isocyanoethyl)-4-methoxy-benzenep-methoxy-phenylethylisocyanideSCHEMBL25610562-(4-methoxyphenyl)ethyl-isocyanide1-(2-isocyanoethyl)-4-methoxybenzolAKOS006279125
Show more names
Benzene, 1-(2-isocyanoethyl)-4-Methoxy-
DB-060156EN300-18301341-(2-Isocyanoethyl)-4-methoxybenzene, AldrichCPR
Database identifiers
- CAS
112057-91-7- PubChem CID
- 449798
- DTXSID
DTXSID80332316- EC Number
- 171-248-6
- Nikkaji
- J2.727.323H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 13.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, 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. 3 (100%)
Chemistry & industry
Suppliers19 total
广州诚创生物科技有限公司18027266590 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
上海新平精细化学品有限公司18221735425 · [email protected]
苏州筑研客生物医药有限公司15190025787 18550797660 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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