Basic information
- Standard SMILES
ClCC(Cl)(Cl)C(Cl)Cl- InChIKey
IYFMQUDCYNWFTL-UHFFFAOYSA-N- Molecular formula
- C3H3Cl5
- Average molar mass
- 216.3 g/mol
- Monoisotopic mass
- 213.8677385
Names & identifiers
- Preferred name
- 1,1,2,2,3-Pentachloropropane
- IUPAC
- 1,1,2,2,3-pentachloropropane
- English name
- Pentachloropropane
- Molecular formula
- C3H3Cl5
- Molecular weight
- 216.32
Names & synonyms
1,1,2,2,3-PentachloropropanePropane, 1,1,2,2,3-pentachloro-16714-68-4CVC57MN72DDTXSID1051777RefChem:70870DTXCID4030332240-766-5BRN 1738270EINECS 240-766-54-01-00-00204 (Beilstein Handbook Reference)SCHEMBL869267
Show more names
Pentachloropropane
SCHEMBL3327821MFCD01697668NS00025476
Database identifiers
- CAS
16714-68-4- PubChem CID
- 85562
- DTXSID
DTXSID1051777- UNII
- CVC57MN72D
- EC Number
- 240-766-5
- Nikkaji
- J50.921C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 190.45 °C · 190.45°C (estimate)
- Density
- 1.633 · 1.6330
- refractive index
- 1.5061 · 1.5061 (estimate)
- form
- A liquid
- Odor
- pleasant camphoraceous odor
- Henry's Law Constant
- 1.4 · 1.4×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 57 MN72D · CVC57MN72D
- EPA Substance Registry System
- 1 · Propane, 1,1,2,2,3-pentachloro- (16714-68-4)
- RIDADR
- 2810 · 2810
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
- Toxicity
- 50 unr-rat: · LD50 unr-rat: 819 mg/kg CHABA889,142,78
Safety & regulation
Safety data
- tsca
- TSCA listed
- ridadr
- 2810
- Toxicity
- LD50 unr-rat: 819 mg/kg CHABA889,142,78
- hazard_class
- 6.1(a)
- packing_group
- II
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropane, 1,1,2,2,3-pentachloro-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers5 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
武汉鹏垒生物科技有限公司15871464247 17307245989 · [email protected]
扬州摩笛尔电子材料有限公司13918702962 13761402923 · [email protected]
Related reactions
1 records
Linked notes
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