Basic information
- CAS
327-76-4- Standard SMILES
FC(F)(F)c1ccc(Cl)c(C(F)(F)F)c1- InChIKey
XIVDTLKMHDHQCB-UHFFFAOYSA-N- Molecular formula
- C8H3ClF6
- Average molar mass
- 248.55 g/mol
- Monoisotopic mass
- 247.9827471
Names & identifiers
- Preferred name
- 1-Chloro-2,4-bis(trifluoromethyl)benzene
- IUPAC
- 1-chloro-2,4-bis(trifluoromethyl)benzene
- English name
- 2,4-Bis(trifluoromethyl)chlorobenzene
- Molecular formula
- C8H3ClF6
- Molecular weight
- 248.55
Names & synonyms
327-76-41-chloro-2,4-bis(trifluoromethyl)benzene2,4-Bis(trifluoromethyl)chlorobenzeneMFCD016316382,4-bis-(trifluoromethyl)chlorobenzene1,3-bis(trifluoromethyl)-4-chlorobenzene1-chloro-2,4-bis-(trifluoromethyl)benzeneSCHEMBL1040760DTXSID10378282AKOS005255670CS-W0146292,4-bis(trifluoromethyl)-1-chlorobenzene
Show more names
benzene,4-chloro-1,3-bis(trifluoromethyl)-2,4-Bis(trifluoromethyl)chlorobenzene, 97+%Benzene, 1-chloro-2,4-bis(trifluoromethyl)-1,3-Bis(trifluoromethyl)-4-chlorobenzene97%1,3-Bis(trifluoromethyl)-4-chlorobenzene 97%
AM623001-chloro-2,SCHEMBL17434720SCHEMBL30418237SBB1004761-chloro-2,4-bis-trifluoromethyl-benzene4-chloro-1,3-bis(trifluoromethyl)benzenePS-11310
Database identifiers
- CAS
327-76-4- PubChem CID
- 2773209
- DTXSID
DTXSID10378282
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -59 · -59--58°C
- Boiling point
- 150 °C · 150 °C
- Density
- 1 · 1,52 g/cm3
- refractive index
- 1.414 · 1.4140
- Flash point
- 59 °C · 59°C
- storage temp.
- 2 · 2-8°C
- Appearance
- Colorless to light yellow Liquid
- BRN
- 1978012 · 1978012
- Dielectric constant
- 5.44 · 5.4400000000000004
- CAS DataBase Reference
- 327 · 327-76-4(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H315-H319-H335
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 (80%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- ridadr
- UN1993
- hs_code
- 2903998090
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,F
- hazard_note
- Flammable/Irritant
- safety_code
- 26-36/37/39
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers60 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
3 records
Compound notes
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