Basic information
- CAS
73713-79-8- Standard SMILES
O=S(=O)(Cl)c1cccc2nsnc12- InChIKey
CXAICGCTHOWKPP-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2O2S2
- Average molar mass
- 234.7 g/mol
- Monoisotopic mass
- 233.93244702
Names & identifiers
- Preferred name
- 2,1,3-Benzothiadiazole, 4-chlorosulfonyl-
- IUPAC
- 2,1,3-benzothiadiazole-4-sulfonyl chloride
- English name
- 2,1,3-Benzothiadiazole-4-sulphonyl chloride
- Molecular formula
- C6H3ClN2O2S2
- Molecular weight
- 234.68
Names & synonyms
2,1,3-Benzothiadiazole-4-sulfonyl chloride4-Chlorosulfonyl-2,1,3-benzothiadiazole2,1,3-Benzothiadiazole, 4-chlorosulfonyl-BRN 0746950DTXSID00224022RefChem:241849DTXCID00146513670-647-773713-79-8Benzo[c][1,2,5]thiadiazole-4-sulfonyl chloride2,1,3-benzothiadiazole-4-sulphonyl chloridebenzo[2,1,3]thiadiazole-4-sulfonyl chloride
Show more names
FS000861TOS-BB-0899ZERO/005240AKOS B017627AKOS BC-0692BUTTPARK 27\04-23TIMTEC-BB SBB007089ART-CHEM-BB B017627piazthiole-4-sulfonyl chloride
MFCD00068049C6H3ClN2O2S2Benzo-2,1,3-thiadiazole-4-sulfonyl chloride2??,1,3-benzothiadiazole-4-sulfonyl chloride2lambda4,1,3-benzothiadiazole-4-sulfonyl chlorideSCHEMBL7612172,1,3-Benzothiadiazole, 4-CXAICGCTHOWKPP-UHFFFAOYSA-N
Database identifiers
- CAS
73713-79-8
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 148 °C · 148 °C
- Boiling point
- 359.4 · 359.4±15.0 °C(Predicted)
- Density
- 1.723 · 1.723±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -2.69 · -2.69±0.45(Predicted)
- InChI
- InChI=1S/C6H3ClN2O2S2/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H
- InChIKey
- CXAICGCTHOWKPP-UHFFFAOYSA-N
- SMILES
- N1=C2C=CC=C(S(Cl)(=O)=O)C2=NS1
- CAS DataBase Reference
- 73713 · 73713-79-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- 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
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): 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 6 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- rtecs
- DL0100000
- ridadr
- 3261
- hs_code
- 2934999090
- risk_code
- 34-36
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 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
Suppliers57 total
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]
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]
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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
苏州泽厚生物科技有限公司0512-68716880 19984816880 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Related reactions
38 records
Compound notes
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