Basic information
- CAS
3215-64-3- Standard SMILES
N#CCc1c(Cl)cccc1Cl- InChIKey
AOEJUUCUKRUCEF-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2N
- Average molar mass
- 186.03 g/mol
- Monoisotopic mass
- 184.97990452
Names & identifiers
- Preferred name
- (2,6-Dichlorophenyl)acetonitrile
- IUPAC
- 2-(2,6-dichlorophenyl)acetonitrile
- English name
- 2,6-Dichlorobenzyl acetonitrile
- Molecular formula
- C8H5Cl2N
- Molecular weight
- 186.04
Names & synonyms
3215-64-3(2,6-Dichlorophenyl)acetonitrile2,6-DichlorobenzeneacetonitrileEINECS 221-730-8DTXSID00185922NSC 72901RefChem:394678DTXCID40108413221-730-82,6-Dichlorophenylacetonitrile2-(2,6-dichlorophenyl)acetonitrile2,6-Dichlorobenzyl cyanide
Show more names
Guanfacine Impurity 136-Dichlorophenylacetontrile2,6-DichlorobenzylCyanide>2,6-DICHLOROPHENYLACETONTRILE2,6-dichlorobenzyl acetonitrile2,6-Dichloropenzyl Acetonitrile
Benzeneacetonitrile, 2,6-dichloro-MFCD00001901Acetonitrile, (2,6-dichlorophenyl)-NSC72901NSC-72901YDY3AJ66GXNCIOpen2_000517SCHEMBL779716
Database identifiers
- CAS
3215-64-3- PubChem CID
- 76678
- DTXSID
DTXSID00185922- UNII
- YDY3AJ66GX
- EC Number
- 221-730-8
- Nikkaji
- J126.366H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 73 · 73-75 °C (lit.)
- Boiling point
- 306.06 °C · 306.06°C (rough estimate)
- Density
- 1.4274 · 1.4274 (rough estimate)
- refractive index
- 1.569 · 1.5690 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- Crystalline Powder
- color
- White to light yellow
- BRN
- 1910482 · 1910482
- Exposure limits
- 25 mg/m3 · NIOSH: IDLH 25 mg/m3
- InChI
- 1S/C8H5Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
- InChIKey
- AOEJUUCUKRUCEF-UHFFFAOYSA-N
- SMILES
- Clc1cccc(Cl)c1CC#N
- CAS DataBase Reference
- 3215 · 3215-64-3(CAS DataBase Reference)
- FDA UNII
- 3 AJ66GX · YDY3AJ66GX
- NIST Chemistry Reference
- 2 · 2,6-Dichlorophenylacetic acid nitrile(3215-64-3)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-37/39-36/37/39
- RIDADR
- 3439 · 3439
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29269095 · 29269095
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (10.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (10.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 3439
- hs_code
- 29269095
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-37/39-36/37/39
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302+H312+H332-H315-H319
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
Uses2,6-Dichlorophenylacetonitrile was found to degrade rapidly in non-sterile soils but not in azide treated soils.
General Description2,6-Dichlorophenylacetonitrile was found to degrade rapidly in non-sterile soils but not in azide treated soils.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
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孝感深远化工有限公司15527621225; 15527621225 · [email protected]
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越林试剂021-62960152 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都迈斯克医药科技有限公司028-84552636 18084815636 · [email protected]
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Related reactions
37 records
Compound notes
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