CAS 626-60-8 3-Chloropyridine (HCID 12287)

Names & identifiers

Preferred name: 3-Chloropyridine
IUPAC: 3-chloropyridine
English name: 3-Chloropyridine
Molecular formula: C5H4ClN
Molecular weight: 113.54

Names & synonyms

3-CHLOROPYRIDINEPyridine, 3-chloro-m-Chloropyridine3-chloro pyridine3-pyridinyl chlorideCCRIS 1715DTXSID3052309EINECS 210-955-7UNII-1M13HUC1P4NSC 60200BRN 01057441M13HUC1P4

Show more names

B-CHLOROPYRIDINE3-chloro-pyridinChloropyridine,95%TAK438 Impurity 93

.beta.-ChloropyridineNSC-60200CHLOROPYRIDINE, 3-DTXCID4030881HSDB 84855-20-05-00406 (Beilstein Handbook Reference)mChloropyridinebeta-Chloropyridine

Database identifiers

CAS: 626-60-8
PubChem CID: 12287
DTXSID: DTXSID3052309
ChEMBL: CHEMBL5414002
UNII: 1M13HUC1P4
EC Number: 210-955-7
Nikkaji: J32.649F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 56

Physicochemical properties

Melting point: 135 °C · 135 °C
Boiling point: 148 °C · 148 °C (lit.)
Density: 1.194 g/mL · 1.194 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.533(lit.)
Flash point: 150 °F · 150 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: 10 g/l · 10g/l
pka: 2.84 · 2.84(at 25℃)
form: Liquid
color: Clear colorless to yellow
PH: 7 · >7 (H2O, 20℃)
Water Solubility: 10 g/L · Soluble in water 10 g/L.
BRN: 105744 · 105744
Henry's Law Constant: 3.5 · 3.5×10-1 mol/(m3Pa) at 25℃, Arnett and Chawla (1979)
InChI: 1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H
InChIKey: PWRBCZZQRRPXAB-UHFFFAOYSA-N
SMILES: Clc1cccnc1
CAS DataBase Reference: 626 · 626-60-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 1 M13HUC1P4 · 1M13HUC1P4
NIST Chemistry Reference: 3 · Pyridine, 3-chloro-(626-60-8)
EPA Substance Registry System: 3 · Pyridine, 3-chloro- (626-60-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06,GHS08,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H310+H330-H315-H318-H335-H373-H410
Precautionary statements: 262 · P262-P273-P280-P302+P352+P310-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 36 · 36/37-36/37/39-26-36
RIDADR: 2822 · UN 2822
WGK Germany: 3 · 3
RTECS: 6125000 · US6125000
Hazard Note: Harmful/Irritant
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29333999 · 29333999
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 2 DermalAcute · Acute Tox. 2 DermalAcute Tox. 2 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2STOT RE 2STOT SE 3
Hazardous Substances Data: 626 · 626-60-8(Hazardous Substances Data)

Safety & regulation

Safety data

wgk: 3
tsca: TSCA listed
rtecs: US6125000
ridadr: UN 2822
hs_code: 29333999
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS08,GHS09
hazard_code: Xn,Xi
hazard_note: Harmful/Irritant
safety_code: 36/37-36/37/39-26-36
hazard_class: 3
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H302-H310+H330-H315-H318-H335-H373-H410
Hazard Classifications: Acute Tox. 2 DermalAcute Tox. 2 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2STOT RE 2STOT SE 3
Precautionary statements: P262-P273-P280-P302+P352+P310-P304+P340+P310-P305+P351+P338
Hazardous Substances Data: 626-60-8(Hazardous Substances Data)

Chemistry & industry

Applications · 2 items

Description3-Chloropyridine is a small molecular structural unit with a chlorine functional group that can participate in various reaction processes. It is widely used in the field of organic synthesis to prepare other pharmaceutical and chemical products.

Uses3-Chloropyridine is used as a pharmaceutical intermediate. It can be used to produce 3-chloro-pyridine-1-oxide.

Upstream & downstream products

Upstream raw materials

Downstream products

2-Cyano-3-chloropyridine 5-Chloro-3-pyridinamine 3,4-Dichloropyridine 3-Chloro-4-pyridineboronic acid hydrate 3-Chloro-5-nitropyridine 2,5-Dichloropyridine 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine NICOTINANILIDE 3-(2-Thienyl)pyridine 3,4-Dichloro-5-pyridinecarboxylic acid Pyridine Piperazine, 1-methyl-4-(3-pyridinyl)- (9CI)

Suppliers100 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

431 records

New reaction record

HRID 7157As reactantuspto-grants-2006_08

HRID 124985As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 154727As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 221368As reactantuspto-grants-2012_06

HRID 227878As reactantuspto-grants-2009_07

HRID 227927As reactantuspto-grants-2009_07

HRID 288649As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 382113As reactantuspto-grants-2001_10

Compound notes

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Basic information