Basic information
- CAS
1190-22-3- Standard SMILES
CC(Cl)CCCl- InChIKey
QBGVARBIQGHVKR-UHFFFAOYSA-N- Molecular formula
- C4H8Cl2
- Average molar mass
- 127.01 g/mol
- Monoisotopic mass
- 126.0003056
Names & identifiers
- Preferred name
- 1,3-Dichlorobutane
- IUPAC
- 1,3-dichlorobutane
- English name
- 1,3-DICHLOROBUTANE
- Molecular formula
- C4H8Cl2
- Molecular weight
- 127.01
Names & synonyms
1,3-DICHLOROBUTANE1190-22-3Butane, 1,3-dichloro-MFCD00000870EINECS 214-718-91,3-Dichloro-butane1,3-Dichlorobutane, 99%1,3-DICHLOROBUTANE;SCHEMBL162994SCHEMBL231260SCHEMBL245347CHEMBL352037
Show more names
1,3-dichloro-butan2-Butene dichlorideButane,1,3-dichloro-1,3-Dichlorobutane,99%1,3-Dichlorobutane >1,3-DICHLOROBUTANE ISO 9001：2015 REACH1,3-Dichlorobutane Solution in Methanol
SCHEMBL5395251SCHEMBL6239724DTXSID90870855AKOS006221689BS-43853SY051462CS-0442069D0348
Database identifiers
- CAS
1190-22-3- PubChem CID
- 14480
- DTXSID
DTXSID90870855- ChEMBL
CHEMBL352037- EC Number
- 214-718-9
- Nikkaji
- J7.449G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 28.7
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -70.34 °C · -70.34°C (estimate)
- Boiling point
- 134 °C · 134 °C(lit.)
- Density
- 1.115 g/mL · 1.115 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4431(lit.)
- Flash point
- 87 °F · 87 °F
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- 1S/C4H8Cl2/c1-4(6)2-3-5/h4H,2-3H2,1H3
- InChIKey
- QBGVARBIQGHVKR-UHFFFAOYSA-N
- SMILES
- CC(Cl)CCCl
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Butane, 1,3-dichloro-
Hazards SummaryA strong eye irritant and lachrymator; [Sigma-Aldrich MSDS] See n-Butyl chloride.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxicology
Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2903.19.0500
- risk_code
- 10-36/37
- Signal word
- Warning
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButane, 1,3-dichloro-: ACTIVE
Applications
Uses1,3-Dichlorobutane is a useful building block. It is a used to prepare azacycloalkanes, isoindoles, pyrazole, pyrazolidine, and phthalazine derivatives via microwave-assisted aqueous N-heterocyclizations of primary amines and hydrazines with dihalides and ditosylates. It can be also used to synthesize pyrazole, pyrazolidine and phthalazine derivatives by microwave-assisted cyclocondensation with hydrazine derivatives.
Upstream & downstream products
Downstream products
Suppliers51 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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