Basic information
- CAS
2157-19-9- Standard SMILES
OCC1C(CO)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl- InChIKey
GTSJHTSVFKEASK-UHFFFAOYSA-N- Molecular formula
- C9H8Cl6O2
- Average molar mass
- 360.9 g/mol
- Monoisotopic mass
- 357.865546
Names & identifiers
- Preferred name
- 1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)hept-5-ene-2,3-dimethanol
- IUPAC
- [1,4,5,6,7,7-hexachloro-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
- English name
- Endosulfan alcohol
- Molecular formula
- C9H8Cl6O2
- Molecular weight
- 360.88
Names & synonyms
EndodiolBicyclo[2.2.1]hept-5-ene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dimethanol1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)hept-5-ene-2,3-dimethanolBicyclo(2.2.1)hept-5-ene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-RefChem:415775Bicyclo2.2.1hept-5-ene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-218-467-6Endosulfan alcohol2157-19-9ThiodandiolChlorendic diol
Show more names
chlorendicdiolEndosulfan-alcTHIODAN ALCOHOLENDOSULFAN1-1DIOLEndosulfan alcohoEndosulfan Impurity 2
EndosulfandiolEndosulfan diolNSC 116821,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanolNSC 41892Endosulfan-alcohol5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-[1,4,5,6,7,7-hexachloro-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 207 · 207-208℃
- Boiling point
- 411.8 · 411.8±40.0 °C(Predicted)
- Density
- 1.5459 · 1.5459 (estimate)
- Flash point
- 100 °C · 100 °C
- solubility
- Methanol (Slightly, Sonicated)
- pka
- 14.62 · 14.62±0.10(Predicted)
- BRN
- 2057348 · 2057348
- Henry's Law Constant
- 7.7 · 7.7×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPA Substance Registry System
- 2.2 · Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro- (2157-19-9)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 300 · H300+H310+H330-H410
- Precautionary statements
- 260 · P260-P262-P273-P280-P302+P352+P310-P304+P340+P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationBicyclo2.2.1hept-5-ene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DT5300000
- ridadr
- UN 3077 9/PG 3
- risk_code
- 50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- N
- safety_code
- 60-61
- Hazard statements
- H300+H310+H330-H410
- Precautionary statements
- P260-P262-P273-P280-P302+P352+P310-P304+P340+P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBicyclo[2.2.1]hept-5-ene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-: INACTIVE
Applications
UsesEndosulfan alcohol is used as an intermediate of the organochlorine pesticide endosulfan.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers32 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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