CAS 2144-37-8 Methyl 5-(chloromethyl)-2-furoate (HCID 75065)

Names & identifiers

Preferred name: Methyl 5-(chloromethyl)-2-furoate
IUPAC: methyl 5-(chloromethyl)furan-2-carboxylate
English name: METHYL 5-(CHLOROMETHYL)-2-FUROATE
Molecular formula: C7H7ClO3
Molecular weight: 174.58

Names & synonyms

Methyl 5-(chloromethyl)-2-furoate2144-37-8Methyl 5-chloromethyl-2-furoateDTXSID40175706EINECS 218-405-8NSC 117334RefChem:816730DTXCID9098197218-405-8methyl 5-(chloromethyl)furan-2-carboxylateMFCD000209222-Furancarboxylic acid, 5-(chloromethyl)-, methyl ester

Show more names

AKOS B006673AKOS BC-1864AKOS BBS-00001414TIMTEC-BB SBB003794ART-CHEM-BB B006673OTAVA-BB BB7118560750METHYL 5-(CHLOROMETHYL)-2-FU4-chloro-2,3-dimethylbenzoateMETHYL 5-(CHLOROMETHYL)-2-FURATE

C7H7ClO3NSC-117334NSC117334Enamine_005466methyl 5-chloromethylfuroate8E8QKZ9S9D5-chloromethylfuran-2-carboxylic acid methyl esterSCHEMBL189224

Database identifiers

CAS: 2144-37-8
PubChem CID: 75065
DTXSID: DTXSID40175706
UNII: 8E8QKZ9S9D
EC Number: 218-405-8
Nikkaji: J298.727I

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 39.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 32 · 32-36 °C(lit.)
Boiling point: 102 °C · 102 °C (15 mmHg)
Density: 1.266 · 1.266±0.06 g/cm3(Predicted)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform, Methanol (Slightly)
form: Low Melting Crystalline Solid or Oily Liquid
color: White to yellow
InChI: 1S/C7H7ClO3/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,4H2,1H3
InChIKey: PWXMEBZOKUPCST-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(CCl)o1
CAS DataBase Reference: 2144 · 2144-37-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37-45
RIDADR: 1759 · UN 1759 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
HazardClass: IRRITANT
HS Code: 29329900 · 29329900
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (95.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (95.1%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 1759 8/PG 2
hs_code: 29329900
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37-45
hazard_class: IRRITANT
Storage Class: 8A - Combustible corrosive hazardous materials
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Applications

UsesMethyl 5-(Chloromethyl)-2-furoate can be used for inhibition of gram-negative bacterial for iron uptake. It can also be used to treat osteoporosis.

Upstream & downstream products

Upstream raw materials

Downstream products

Methyl 5-[(diethylamino)methyl]-2-furoate 5-(2-BROMO-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID METHYL ESTER methyl 5-(carbamimidoylsulfanylmethyl)furan-2-carboxylate hydrochloride 5-[(3-nitro-1H-pyrazol-1-yl)methyl]-2-furaldehyde

Suppliers98 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

89 records

New reaction record

HRID 42738As reactantuspto-grants-2013_09

HRID 71347As reactantuspto-grants-2014_09

HRID 76456As reactantuspto-grants-2014_09

HRID 88156As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 200311As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 226619As reactantuspto-grants-2009_07

HRID 310641As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 321175As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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Basic information