Basic information
- CAS
624-96-4- Standard SMILES
CC(C)(Cl)CCCl- InChIKey
QGCOTJZDMVMLRQ-UHFFFAOYSA-N- Molecular formula
- C5H10Cl2
- Average molar mass
- 141.04 g/mol
- Monoisotopic mass
- 140.0159557
Names & identifiers
- Preferred name
- 1,3-Dichloro-3-methylbutane
- IUPAC
- 1,3-dichloro-3-methylbutane
- English name
- 1,3-Dichloro-3-methylbutane
- Molecular formula
- C5H10Cl2
- Molecular weight
- 141.04
Names & synonyms
1,3-Dichloro-3-methylbutane624-96-4EINECS 210-873-1DTXSID10211463RefChem:414305DTXCID10133954210-873-11,3-Dichloro-3-methyl-butaneButane, 1,3-dichloro-3-methyl-2,4-Dichloro-2-methylbutaneSCHEMBL8463868SCHEMBL11214166
Show more names
1,3-Dichloro-methylbutane
AKOS006283788DB-054181NS00035050InChI=1/C5H10Cl2/c1-5(2,7)3-4-6/h3-4H2,1-2H
Database identifiers
- CAS
624-96-4- PubChem CID
- 69358
- DTXSID
DTXSID10211463- EC Number
- 210-873-1
- Nikkaji
- J29.158G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 50
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -75.05 °C · -75.05°C (estimate)
- Boiling point
- 149.59 °C · 149.59°C (estimate)
- Density
- 1.0718 · 1.0718
- refractive index
- 1.4442 · 1.4442
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses1,3-Dichloro-3-methylbutane is used as a reagent in the synthesis of Precocene analogs which exhibit anti-juvenile hormone activity against Oxycarenus lavaterae.
Upstream & downstream products
Downstream products
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
4 records
Compound notes
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