Basic information
- CAS
175135-35-0- Standard SMILES
N#CCc1ccc(OCc2c(F)cccc2Cl)cc1- InChIKey
IMYWPHZDFVUXGJ-UHFFFAOYSA-N- Molecular formula
- C15H11ClFNO
- Average molar mass
- 275.7 g/mol
- Monoisotopic mass
- 275.0513198
Names & identifiers
- Preferred name
- 4-[(2-Chloro-6-fluorophenyl)methoxy]benzeneacetonitrile
- IUPAC
- 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile
- English name
- 4-(2-Chloro-6-fluorobenzyloxy)phenylacetonitrile
- Molecular formula
- C15H11ClFNO
- Molecular weight
- 275.71
Names & synonyms
175135-35-04-((2-Chloro-6-fluorophenyl)methoxy)benzeneacetonitrile4-[(2-Chloro-6-fluorophenyl)methoxy]benzeneacetonitrileRefChem:2863144-(2-Chloro-6-fluorobenzyloxy)phenylacetonitrile2-(4-((2-Chloro-6-fluorobenzyl)oxy)phenyl)acetonitrile2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrileBenzeneacetonitrile, 4-[(2-chloro-6-fluorophenyl)methoxy]-MFCD000677422-{4-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}acetonitrile2-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}acetonitrile4-[(2-Chloro-6-fluorobenzyl)oxy]phenylacetonitrile
Show more names
4-[(2-Chloro-6-fluorobenzyl)oxy]benzyl cyanide4-(2-Chloro-6-fluorobenzyloxy)phenylacetonitrile97%4-(2-Chloro-6-fluorobenzyloxy)phenylacetonitrile 97%2-[4-[(2-CHLORO-6-FLUOROBENZYL)OXY]PHENYL]ACETONITRILE
C15H11ClFNOMaybridge1_001853Oprea1_485163HMS546M05DTXSID30371437AKOS009165290DB-044011CS-0358628
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 78 °C · 78 °C
- Boiling point
- 409.7 · 409.7±40.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 175135 · 175135-35-0(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331
- Precautionary statements
- 280 · P280-P309+P311
- Hazard Codes
- T
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 22 · 22-36/37/39
- RIDADR
- 2811 · UN2811
- HazardClass
- TOXIC
- HS Code
- 2926907090 · 2926907090
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
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, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+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%)
Safety data
- ridadr
- UN2811
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 22-36/37/39
- hazard_class
- TOXIC
- Hazard statements
- H301+H311+H331
- 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
- P280-P309+P311
Chemistry & industry
Suppliers13 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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