2-Chloronicotinonitrile (HCID 81079)

Names & identifiers

Preferred name: 2-Chloronicotinonitrile
IUPAC: 2-chloropyridine-3-carbonitrile
English name: 2-Chloro-3-cyanopyridine
Molecular formula: C6H3ClN2
Molecular weight: 138.55

Names & synonyms

2-Chloro-3-cyanopyridine2-Chloronicotinonitrile6602-54-62-Chloropyridine-3-carbonitrile2-Chloro-3-pyridinecarbonitrile3-Pyridinecarbonitrile, 2-chloro-2GQP44MUH22-ChloronicotinoitrileEINECS 229-550-1NSC-73287JAUPUQRPBNDMDT-UHFFFAOYSA-DTXSID00216240

Show more names

2-Chloro-3-cyanopyri2-CHLORONICOTINITRILE3-cyano-2-chloropyridineAKOS 93614RARECHEM AH CK 00662-Chloronictinonitril2-Chloronicotinotrile

NSC 73287RefChem:86515DTXCID00138731229-550-1InChI=1/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3HJAUPUQRPBNDMDT-UHFFFAOYSA-NMFCD000146282-chloro-nicotinonitrile

Database identifiers

CAS: 6602-54-6
PubChem CID: 81079
DTXSID: DTXSID00216240
ChEMBL: CHEMBL1969978
UNII: 2GQP44MUH2
EC Number: 229-550-1
Nikkaji: J68.164D

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 137

Physicochemical properties

Melting point: 104 · 104-107 °C(lit.)
Boiling point: 112 °C · 112°C 1mm
Density: 1.3185 · 1.3185 (rough estimate)
refractive index: 1.4877 · 1.4877 (estimate)
Flash point: 112 °C/1mm · 112°C/1mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Crystalline Powder or Flakes
pka: -2.17 · -2.17±0.10(Predicted)
color: White to off-white
BRN: 115772 · 115772
InChI: InChI=1S/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3H
InChIKey: JAUPUQRPBNDMDT-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC=C1C#N
CAS DataBase Reference: 6602 · 6602-54-6(CAS DataBase Reference)
FDA UNII: 2 GQP44MUH2 · 2GQP44MUH2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,T,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36-36/37/39
RIDADR: 3439 · UN 3439 6.1/PG 3
WGK Germany: 3 · 3
Hazard Note: Toxic/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: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
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

Warning

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information3-Pyridinecarbonitrile, 2-chloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (98%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 3439 6.1/PG 3
hs_code: 29333990
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,T,Xi
hazard_note: Toxic/Irritant
safety_code: 26-36-36/37/39
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: H302+H312+H332-H315-H319-H335
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications

Uses2-Chloro-3-cyanopyridine (cas# 6602-54-6) is a compound useful in organic synthesis.

Upstream & downstream products

Upstream raw materials

Downstream products

ISOXAZOLO[5,4-B]PYRIDIN-3-YLAMINE 1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YLAMINE 2-Chloro-5-hydroxymethylpyridine Furo[2,3-b]pyridine-2-carboxylic acid, 3-amino-, ethyl ester (9CI)Mirtazapine 4-Chlorothieno[3,2-d]pyrimidine 2-Aminonicotinic acid 1-(3-Cyanopyridyl-2)-2-Phenyl-4-Methylpyperazine METHYL 3-AMINOTHIENO[2,3-B]PYRIDINE-2-CARBOXYLATE 1-(3-Carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine 2-Hydroxynicotinic acid 2-chloro-5-cyanopyridine

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

387 records

New reaction record

HRID 7153As reactantuspto-grants-2006_08

HRID 8099As reactantuspto-grants-2006_08

HRID 18099As reactantuspto-grants-2010_06

HRID 20102As reactantuspto-grants-2010_06

HRID 20248As reactantuspto-grants-2010_06

HRID 30418As reactantuspto-grants-2008_09

HRID 50870As reactantuspto-grants-2004_03

HRID 51509As reactantuspto-grants-2004_03

Linked notes

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Basic information