1,1,1,2,2,3,3-Heptachloropropane

HCID 11677

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 594-89-8
Standard SMILES: ClC(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIKey: YFIIENAGGCUHIQ-UHFFFAOYSA-N
Molecular formula: C3HCl7
Average molar mass: 285.2 g/mol
Monoisotopic mass: 281.789794

Names & identifiers

Preferred name: 1,1,1,2,2,3,3-Heptachloropropane
IUPAC: 1,1,1,2,2,3,3-heptachloropropane
English name: 1,1,1,2,2,3,3-HEPTACHLOROPROPANE
Molecular formula: C3HCl7
Molecular weight: 285.21

Names & synonyms

1,1,1,2,2,3,3-HEPTACHLOROPROPANE594-89-8Asym-heptachloropropanePropane, 1,1,1,2,2,3,3-heptachloro-J7BW4GD9PSNSC-7298EINECS 209-856-1AI3-11740DTXSID50208130NSC 7298RefChem:70817DTXCID70130621

Show more names

unsym-Heptachloropropanepropane,1,1,1,2,2,3,3-heptachloro-1,1,1,2,2,3,3-Heptachloropropane>1,1,1,2,2,3,3-HEPTACHLOROPROPANE 99%1,1,1,2,2,3,3-HEPTACHLOROPROPANE PESTANA1,1,1,2,2,3,3-HEPTACHLOROPROPANE ISO 9001：2015 REACH

209-856-1YFIIENAGGCUHIQ-UHFFFAOYSA-NMFCD00000847heptachlorpropanNSC7298UNII-J7BW4GD9PSSCHEMBL147891SCHEMBL147892

Database identifiers

CAS: 594-89-8
PubChem CID: 11677
DTXSID: DTXSID50208130
UNII: J7BW4GD9PS
EC Number: 209-856-1
Nikkaji: J472C

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 111

Physicochemical properties

Melting point: 29 · 29-30°C
Boiling point: 165 · 165-166°C 90mm
Density: 1.8048 · 1.8048
refractive index: 1.5427 · 1.5427 (estimate)
Flash point: 29 °C · 29 °C
form: powder to lump to clear liquid
color: White or Colorless to Light yellow
CAS DataBase Reference: 594 · 594-89-8(CAS DataBase Reference)
FDA UNII: 7 BW4GD9PS · J7BW4GD9PS
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 413 · H413-H319-H315-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 2811 · 2811
HS Code: 2903.19 · 2903.19.6050

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationChemical: Propane, 1,1,1,2,2,3,3-heptachloro-

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 4 (100%)

Regulatory information

Regulatory InformationChemical: Propane, 1,1,1,2,2,3,3-heptachloro-

Safety data

ridadr: 2811
hs_code: 2903.19.6050
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H413-H319-H315-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362