1,4-Bis(trifluoromethyl)benzene (HCID 67945)

Names & identifiers

Preferred name: 1,4-Bis(trifluoromethyl)benzene
IUPAC: 1,4-bis(trifluoromethyl)benzene
English name: 1,4-Bis(trifluoromethyl)-benzene
Molecular formula: C8H4F6
Molecular weight: 214.11

Names & synonyms

1,4-Bis(trifluoromethyl)benzene433-19-21,4-di(Trifluoromethyl)benzeneBenzene, 1,4-bis(trifluoromethyl)-Hexafluoro-p-xylenep-Bis(trifluoromethyl)benzene1,4-bis-trifluoromethylbenzenealpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-p-xylene1,4-Bis(trifluoromethyl)-benzeneMFCD00000402NSC 61992A7C3RX7Y2R

Show more names

PTF-TFM-Trifluo1,4-Bis(trifLHEXAFLUOROPARAXYLENE1,4-Bis(trifluorometP-XYLENE HEXAFLUORIDEDutasteride Impurity 46paraditrifluoromethylbenzene

NSC-61992p-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-p-trifluoromethylbenzotrifluoridep-Xylene, .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexafluoro-Dutasteride impurity G1,4-Di(trifluoromethyl)benzene; NSC 61992PTF-TFM; p-Bis(trifluoromethyl)benzene; p-Trifluoromethylbenzotrifluoride; p-Xylene hexafluoride; alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-p-xyleneNSC61992EINECS 207-086-0

Database identifiers

CAS: 433-19-2
PubChem CID: 67945
DTXSID: DTXSID1059991
UNII: A7C3RX7Y2R
EC Number: 207-086-0
Nikkaji: J60.946C

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 161

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP3.83

Vapor Pressure18.5 [mmHg]

Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -1 °C · -1°C
Boiling point: 116 °C · 116 °C(lit.)
Density: 1.381 g/mL · 1.381 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.379(lit.)
Flash point: 71 °F · 71 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless
Specific Gravity: 1.393 · 1.393 (20/4℃)
BRN: 1912445 · 1912445
InChI: InChI=1S/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
InChIKey: PDCBZHHORLHNCZ-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)=CC=C(C(F)(F)F)C=C1
CAS DataBase Reference: 433 · 433-19-2(CAS DataBase Reference)
FDA UNII: 7 C3RX7Y2R · A7C3RX7Y2R
NIST Chemistry Reference: 1 · 1,4-Bis(trifluoromethyl)benzene(433-19-2)
EPA Substance Registry System: 1 · 1,4-Bis(trifluoromethyl)benzene (433-19-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,F
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36/37/39
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
Hazard Note: Flammable
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29039990 · 29039990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 1-Chloro-4-(trifluoromethyl)benzene, 3,4-Dichlorobenzotrifluoride, and Benzotrifluoride.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29039990
risk_code: 10-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: Xi,F
hazard_note: Flammable
safety_code: 16-26-36/37/39
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H225-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,4-bis(trifluoromethyl)-: INACTIVE

Applications

Uses1,4-Bis(trifluoromethyl)benzene is a building block used in various chemical synthesis.

General DescriptionThe infrared absorption of liquid 1,4-bis(trifluoromethyl) benzene has been studied using LiF, NaCl and KBr prisms.

Upstream & downstream products

Upstream raw materials

Downstream products

2,5-Bis(trifluoromethyl)aniline 4-(Trifluoromethyl)-biphenyl Benzotrifluoride

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

6 records

New reaction record

HRID 585333As reactantuspto-grants-2005_08

HRID 643221As reactantuspto-grants-2010_04

HRID 868963As reactantuspto-grants-2015_03

HRID 1561028As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2068468As reactantuspto-grants-2012_10

HRID 2356200As reactantuspto-grants-2010_07

Linked notes

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Basic information