Basic information
- Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)Cl- InChIKey
HUNUAFNLLYVTQD-UHFFFAOYSA-N- Molecular formula
- C8H7ClO4S
- Average molar mass
- 234.66 g/mol
- Monoisotopic mass
- 233.97535738
Names & identifiers
- Preferred name
- Benzoic acid, 2-(chlorosulfonyl)-, methyl ester
- IUPAC
- methyl 2-chlorosulfonylbenzoate
- English name
- Methyl 2-(chlorosulfonyl)benzoate
- Molecular formula
- C8H7ClO4S
- Molecular weight
- 234.66
Names & synonyms
Methyl 2-(chlorosulfonyl)benzoateBenzoic acid, 2-(chlorosulfonyl)-, methyl esterC6HZM8X6PKUNII-C6HZM8X6PKo-(Carbomethoxy)benzenesulfonyl chlorideDTXSID40672282-(Carbomethoxy)benzenesulfonyl chlorideMETHYL O-(CHLOROSULFONYL)BENZOATEO-(METHOXYCARBONYL)BENZENESULPHONYL CHLORIDEBENZOIC ACID, O-(CHLOROSULFONYL)-, METHYL ESTERRefChem:118327DTXCID4037534
Show more names
CBCthyl 2-(chlorosulfonMethly 2-chlorosulfonylbenzoate2-Chlorosulfonyl methyl benzoateMethyl 2-(chorosulfonyl)benzoateMETHYL-O-(CHLOROSULFONYL)BENZOATEMethyl 2-(chlorosulphonyl)benzoateMethyl 2-(chlorosulfonyl)benzoateCBCO-CARBOMETHOXYBENZENESULFONYLCHLORIDE
631-087-926638-43-7methyl 2-chlorosulfonylbenzoateMFCD00009797methyl2-(chlorosulfonyl)benzoate2-carbomethoxybenzenesulfonyl chloride2-chlorosulfonylbenzoic acid methyl esterF0001-0876
Database identifiers
- CAS
26638-43-7- PubChem CID
- 117830
- DTXSID
DTXSID4067228- UNII
- C6HZM8X6PK
- EC Number
- 631-087-9
- Nikkaji
- J236.179E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 62 · 62-63 °C
- Boiling point
- 344.8 · 344.8±25.0 °C(Predicted)
- Density
- 1.4452 · 1.4452 (estimate)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- Crystalline Powder or Chunks
- color
- White to beige or pink
- Water Solubility
- reacts
- Sensitive
- Moisture Sensitive
- InChI
- InChI=1S/C8H7ClO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3
- InChIKey
- HUNUAFNLLYVTQD-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=CC=C1S(Cl)(=O)=O
- CAS DataBase Reference
- 26638 · 26638-43-7(CAS DataBase Reference)
- NCI Dictionary of Cancer Terms
- CBC
- FDA UNII
- 6 HZM8X6PK · C6HZM8X6PK
- EPA Substance Registry System
- 2 · Benzoic acid, 2-(chlorosulfonyl)-, methyl ester (26638-43-7)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- C
- Risk Statements
- 34 · 34-29-14
- Safety Statements
- 45 · 45-36/37/39-30-26-22
- RIDADR
- 3261 · 3261
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29163990 · 29163990
- 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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3261
- hs_code
- 29163990
- risk_code
- 34-29-14
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 45-36/37/39-30-26-22
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-(chlorosulfonyl)-, methyl ester: ACTIVE
Applications
UsesMethyl 2-(chlorosulfonyl)benzoate can be used as intermediates in pharmaceuticals, saccharin, dyes, & pigments.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
Ark Pharm, Inc.847-367-3680 · [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]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
杭州东帆化学有限公司86-0571-85151182
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
越林试剂021-62960152 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
上海伯倚化工科技有限公司021-54096810 18017263450 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
上海康曼生物科技有限公司18800375331 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海相辉医药科技有限公司[email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
Related reactions
58 records
Linked notes
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