CAS 875-35-4 3-Cyano-2,6-dichloro-4-methylpyridine (HCID 70131)

Names & identifiers

Preferred name: 3-Cyano-2,6-dichloro-4-methylpyridine
IUPAC: 2,6-dichloro-4-methylpyridine-3-carbonitrile
English name: 2,6-Dichloro-4-methylnicotinonitrile
Molecular formula: C7H4Cl2N2
Molecular weight: 187.03

Names & synonyms

2,6-Dichloro-4-methylnicotinonitrile875-35-42,6-Dichloro-3-cyano-4-methylpyridine3-CYANO-2,6-DICHLORO-4-METHYLPYRIDINEC46NGD2HM73-PYRIDINECARBONITRILE, 2,6-DICHLORO-4-METHYL-2,6-dichloro-4-methyl-3-pyridinecarbonitrileEINECS 212-873-7NSC-19881DTXSID00236362NSC 19881RefChem:500573

Show more names

001.01.0121BUTTPARK 43\57-14IFLAB-BB F0907-83632,6-Dichloro-4-methy3-Cyano-2,6-dichloro-4-methyl3-Cyano-2,6-dichloro-GAMMA-picoline3-Cyano-2,6-Chloro-4-methylpyridine

DTXCID00158853212-873-72,6-dichloro-4-methylpyridine-3-carbonitrileMFCD000526332,6-dichloro-4-methyl-nicotinonitrileNSC198812,6-dichloro-4-methyl-pyridine-3-carbonitrileSCHEMBL534956

Database identifiers

CAS: 875-35-4
PubChem CID: 70131
DTXSID: DTXSID00236362
UNII: C46NGD2HM7
EC Number: 212-873-7
Nikkaji: J195.162I

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 186

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 108 · 108-112 °C(lit.)
Boiling point: 118 °C · 118 °C / 5mmHg
Density: 1.42 · 1.42±0.1 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: 0.4 g/l · 0.4g/l
pka: -4.53 · -4.53±0.10(Predicted)
form: solid
PH: 3.5 · 3.5 (H2O, 20℃)(aqueous suspension)
Appearance: White to light brown Solid
InChI: InChI=1S/C7H4Cl2N2/c1-4-2-6(8)11-7(9)5(4)3-10/h2H,1H3
InChIKey: LSPMHHJCDSFAAY-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(C)=C1C#N
CAS DataBase Reference: 875 · 875-35-4(CAS DataBase Reference)
FDA UNII: 46 NGD2HM7 · C46NGD2HM7
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H312+H332-H315-H317-H318-H335
Precautionary statements: 261 · P261-P280-P301+P310-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T,Xi
Risk Statements: 20 · 20/21-25-37/38-41-43-36/37/38
Safety Statements: 26 · 26-36/37/39-45-36
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29333990 · 29333990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralAcute · Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 InhalationEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
REACH Registrations: Inactive
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (87%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: No longer Valid Update: 06-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23033

Hazard Classes and CategoriesAcute Tox. 3 (87%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
risk_code: 20/21-25-37/38-41-43-36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-36
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
target organs: Respiratory system
Hazard statements: H301-H312+H332-H315-H317-H318-H335
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 InhalationEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P261-P280-P301+P310-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications

Uses2,6-Dichloro-4-methylnicotinonitrile is a pharmaceutical intermediate compound of Nevirapine, a non-nucleoside reverse transcriptase inhibitor (NNRTI) used in the treatment of human immunodeficiency virus (HIV).