1,1,1,3,3-Pentachlorobutane

HCID 89123
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
21981-33-9
Standard SMILES
CC(Cl)(Cl)CC(Cl)(Cl)Cl
InChIKey
FFBFEBDZFWMXBE-UHFFFAOYSA-N
Molecular formula
C4H5Cl5
Average molar mass
230.3 g/mol
Monoisotopic mass
227.883389

Names & identifiers

Preferred name
1,1,1,3,3-Pentachlorobutane
IUPAC
1,1,1,3,3-pentachlorobutane
English name
1,1,1,3,3-pentachlorobutane
Molecular formula
C4H5Cl5
Molecular weight
230.3475

Names & synonyms

1,1,1,3,3-Pentachlorobutane21981-33-9EINECS 244-691-9DTXSID20176397EC 244-691-9RefChem:409404DTXCID1098888244-691-9SCHEMBL19381SCHEMBL944369SCHEMBL6230725FFBFEBDZFWMXBE-UHFFFAOYSA-
Show more names
NS00001547InChI=1/C4H5Cl5/c1-3(5,6)2-4(7,8)9/h2H2,1H3

Database identifiers

CAS
21981-33-9
PubChem CID
89123
DTXSID
DTXSID20176397
EC Number
244-691-9
Nikkaji
J87.975D

Properties

Computed structural properties

XLogP
4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Boiling point
69.5 · 69.5-82℃ at 7.999-18.665hPa
Density
1.51 at · 1.51 at 20℃
LogP
2.7 at · 2.7 at 20℃ and pH7
REACH Registrations
Inactive

Safety & regulation

Hazard information

Regulatory InformationStatus: Active Update: 16-08-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/10191

Regulatory information

Regulatory InformationStatus: Active Update: 16-08-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/10191

Safety data

REACH Registrations
Inactive

Chemistry & industry

Suppliers4 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

Loading…