Basic information
- CAS
41717-28-6- Standard SMILES
O=C(Cl)c1cc2ccccc2o1- InChIKey
ZJDRDTZQVOCKPI-UHFFFAOYSA-N- Molecular formula
- C9H5ClO2
- Average molar mass
- 180.59 g/mol
- Monoisotopic mass
- 179.99780708
Names & identifiers
- Preferred name
- 2-Benzofurancarbonyl chloride
- IUPAC
- 1-benzofuran-2-carbonyl chloride
- English name
- Benzofuran-2-carbonyl chloride
- Molecular formula
- C9H5ClO2
- Molecular weight
- 180.59
Names & synonyms
41717-28-6Coumariloyl chloride2-BENZOFURANCARBONYL CHLORIDECoumarilic acid chlorideNSC 162303BRN 0124676DTXSID601945154-18-00-04248 (Beilstein Handbook Reference)RefChem:85552DTXCID00117006Benzofuran-2-carbonyl chloride1-benzofuran-2-carbonyl chloride
Show more names
TIMTEC-BB SBB007360coumarilicacidchloride2-benzofuroyl chloride2-BENZOFURANOYL CHLORIDE1-isobenzofurancarbonyl chloride2-Benzofuranoyl chloride, GC 97%
benzo[b]furan-2-carbonyl chlorideMFCD01659782Benzofuran-2-carbonylchlorideSCHEMBL557778Benzofuran -2-carbonyl chloride2-benzofurancarboxylic acid chlorideNSC162303AKOS000114259
Database identifiers
- CAS
41717-28-6- PubChem CID
- 38949
- DTXSID
DTXSID60194515- UNII
- H39LA4U2TH
- EC Number
- 657-405-6
- Nikkaji
- J2.406.523E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 54 °C · 54 °C
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly, Sonicated)
- form
- fused solid
- color
- Light brown
- Stability
- Hygroscopic, Moisture Sensitive
- InChI
- 1S/C9H5ClO2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
- InChIKey
- ZJDRDTZQVOCKPI-UHFFFAOYSA-N
- SMILES
- ClC(=O)c1cc2ccccc2o1
- CAS DataBase Reference
- 41717 · 41717-28-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34-36
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · 3265
- WGK Germany
- 3 · 3
- RTECS
- 6471000 · DF6471000
- Hazard Note
- Corrosive
- HazardClass
- IRRITANT
- HS Code
- 2916200090 · 2916200090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 2 · Eye Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (97.5%)
Safety data
- wgk
- 3
- rtecs
- DF6471000
- ridadr
- 3265
- hs_code
- 2916200090
- risk_code
- 34-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- IRRITANT
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers46 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
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武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
湖州澄博生物科技有限公司13626726938
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
重庆卡兰医药有限公司[email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
45 records
Compound notes
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