4-Chloro-2-methylquinoline (HCID 77973)

Names & identifiers

Preferred name: 4-Chloro-2-methylquinoline
IUPAC: 4-chloro-2-methylquinoline
English name: 4-Chloro-2-methylquinoline
Molecular formula: C10H8ClN
Molecular weight: 177.63

Names & synonyms

4-Chloro-2-methylquinoline4295-06-14-ChloroquinaldineQuinoline, 4-chloro-2-methyl-Quinaldine, 4-chloro-DTXSID10195572EINECS 224-300-8Quinoline, 4(?)-chloro-2-methyl-NSC 89752AI3-12127RefChem:98389DTXCID50118063

Show more names

Compound Fr13648AKOS BBS-00000956TIMTEC-BB SBB0053624-Chloroquinaldine 99%4-Chloro-2-methylquinoline>Quinoline, 4-chloro-2-methyl-

224-300-8HQAIROMRVBVWSK-UHFFFAOYSA-N4-chloro-2-methyl-quinoline2-Methyl-4-chloroquinolineMFCD000067574-CHLOROQUINALDINE HCl4-chloro-quinaldine4-Chloroquinaldine, 99%

Database identifiers

CAS: 4295-06-1
PubChem CID: 77973
DTXSID: DTXSID10195572
ChEMBL: CHEMBL1619469
EC Number: 224-300-8
Nikkaji: J29.106D

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 39 °C · 39 °C
Boiling point: 269 · 269-270 °C (lit.)
Density: 0.881 g/mL · 0.881 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.622(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to lump to clear liquid
pka: 4.4 · 4.40±0.50(Predicted)
color: White or Colorless to Yellow
Water Solubility: Slightly soluble in water.
BRN: 3522 · 3522
InChI: InChI=1S/C10H8ClN/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3
InChIKey: HQAIROMRVBVWSK-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C(Cl)=CC=1C
CAS DataBase Reference: 4295 · 4295-06-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 2933499090 · 2933499090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 2933499090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-Chloroquinaldine is used in the preparation of 4-phenyl-hydrazinoquinaldine

Upstream & downstream products

Upstream raw materials

Downstream products

4-Amino-2-methylquinoline SVFHMQGYXMIBND-UHFFFAOYSA-N 4-Hydrazino-2-methylquinoline hydrochloride quindecamine

Suppliers50 total

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

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

46 records

New reaction record

HRID 176860As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 288987As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 291590As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 333046As reactantuspto-grants-2014_11

HRID 333930As reactantuspto-grants-2014_11

HRID 333936As reactantuspto-grants-2014_11

HRID 333947As reactantuspto-grants-2014_11

HRID 333981As reactantuspto-grants-2014_11

Linked notes

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Basic information