Basic information
- CAS
6334-96-9- Standard SMILES
ClCCCCOCCCCCl- InChIKey
PVBMXMKIKMJQRK-UHFFFAOYSA-N- Molecular formula
- C8H16Cl2O
- Average molar mass
- 199.11 g/mol
- Monoisotopic mass
- 198.05782049
Names & identifiers
- Preferred name
- Butane, 1,1'-oxybis(4-chloro-
- IUPAC
- 1-chloro-4-(4-chlorobutoxy)butane
- English name
- BIS(4-CHLOROBUTYL) ETHER
- Molecular formula
- C8H16Cl2O
- Molecular weight
- 199.12
Names & synonyms
Bis(4-chlorobutyl) ether4,4'-Dichlorodibutyl etherEther, bis(4-chlorobutyl)Di(chlorobutyl)ether1,1'-Oxydi-4-chlorobutaneButane, 1,1'-oxybis(4-chloro-1,1'-Oxybis(4-chlorobutane)Butane, 1,1'-oxybis[4-chloro-NSC 26978Bis-(4-chlorbut-1-yl)-etherAI3-16504EINECS 228-713-4
Show more names
4-CHLOROBUTYL ETHERBCBEBis-(4-cDi(chlorobutyl) ether4-CHLORO-N-BUTYL ETHERBis(4-chlorobutyl)etheDI-(4-CHLOROBUTYL)ETHER4-BIS CHLOROBUTYL ETHER4-Chlorobutyl ether 98%
BRN 1739861Bis-(4-chlorbut-1-yl)-ether [German]DTXSID10642411,1'-Oxybis[4-chlorobutane]RefChem:570727DTXCID7043825228-713-46334-96-9
Database identifiers
- CAS
6334-96-9- PubChem CID
- 22800
- DTXSID
DTXSID1064241- UNII
- DLK2VTH5VP
- EC Number
- 228-713-4
- Nikkaji
- J110.678C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 61.1
Physicochemical properties
- Boiling point
- 129 · 129-131 °C/10 mmHg (lit.)
- Density
- 1.081 g/mL · 1.081 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.459(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Clear Colourless
- BRN
- 1739861 · 1739861
- InChI
- InChI=1S/C8H16Cl2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2
- InChIKey
- PVBMXMKIKMJQRK-UHFFFAOYSA-N
- SMILES
- O(CCCCCl)CCCCCl
- CAS DataBase Reference
- 6334 · 6334-96-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 VTH5VP · DLK2VTH5VP
- EPA Substance Registry System
- 1 · Butane, 1,1'-oxybis[4-chloro- (6334-96-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3334 · UN 3334
- WGK Germany
- 3 · 3
- RTECS
- 400000 · KN0400000
- TSCA
- TSCA listed
- HS Code
- 2909.19 · 2909.19.1800
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 orl-mus: · LD50 orl-mus: 1210 mg/kg ZHYGAM26,17,80
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Peroxide Forming Chemical
Bis(4-chlorobutyl) ether
D: Other compounds that may form peroxides
Kelly
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KN0400000
- ridadr
- UN 3334
- hs_code
- 2909.19.1800
- Toxicity
- LD50 orl-mus: 1210 mg/kg ZHYGAM26,17,80
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButane, 1,1'-oxybis[4-chloro-: ACTIVE
Applications
Usescarbonyl and sulfhydryl reactive heterobifunctional cross-linking reagent
Uses4-Chlorobutyl ether is generally used as an ether-containing linker while synthesizing organic compounds.
UsesBis(4-chlorobutyl) Ether is used in the alkylation of anthracene-cyanoacrylic Diels-Alder adducts.
Upstream & downstream products
Downstream products
Suppliers85 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
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陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
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Related reactions
2 records
Compound notes
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