1-Bromo-4-(trifluoromethoxy)benzene

HCID 521008CAS 407-14-7
Substructure searchFind similar structures

Basic information

Standard SMILES
FC(F)(F)Oc1ccc(Br)cc1
InChIKey
SEAOBYFQWJFORM-UHFFFAOYSA-N
Molecular formula
C7H4BrF3O
Average molar mass
241 g/mol
Monoisotopic mass
239.93976

Names & identifiers

Preferred name
1-Bromo-4-(trifluoromethoxy)benzene
IUPAC
1-bromo-4-(trifluoromethoxy)benzene
English name
1-Bromo-4-(trifluoromethoxy)benzene
Molecular formula
C7H4BrF3O
Molecular weight
241.01

Names & synonyms

1-Bromo-4-(trifluoromethoxy)benzene407-14-7EINECS 206-979-2DTXSID90193672RefChem:430616DTXCID30116163206-979-24-(Trifluoromethoxy)bromobenzene4-Bromo(trifluoromethoxy)benzene4-trifluoromethoxybromobenzeneBenzene, 1-bromo-4-(trifluoromethoxy)-p-bromotrifluoromethoxybenzene
Show more names
4-Bromozbenzotrifluoride1-Bromo-4-(trifLTIMTEC-BB SBB0066061-Bromo-4-(trifluoroBenzene, 1-bromo-4-(trifluoP-Bromotrifluoromethoxybenzen1-Bromo-4-(Trifluoromethoxy)Be
MFCD000408344-bromo-1-(trifluoromethoxy)benzenep-Bromophenyl trifluoromethyl ether1-bromo-4-trifluoromethoxy-benzenep-trifluoromethoxybromobenzene4-bromotrifluoromethoxybenzene4-bromo-trifluoromethoxybenzene4-trifluoromethoxy-1-bromobenzene

Database identifiers

CAS
407-14-7
PubChem CID
521008
DTXSID
DTXSID90193672
UNII
AD5CH69MK6
EC Number
206-979-2
Nikkaji
J213.665A

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Boiling point
80 °C50 · 80 °C50 mm Hg(lit.)
Density
1.622 g/mL · 1.622 g/mL at 25 °C(lit.)
vapor pressure
20 hPa · 20 hPa (55 °C)
refractive index
20 · n20/D 1.461(lit.)
Flash point
154 °F · 154 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (70.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (70.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (81.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 14-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21159
Hazard Classes and CategoriesAcute Tox. 4 (70.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (83.6%)；Resp. Sens. 1 (70.9%)；STOT SE 3 (81.8%)

Regulatory information

Regulatory InformationStatus: Cease Manufacture Update: 14-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21159

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
1
ridadr
UN 3082 9/PG 3
hs_code
29093090
Toxicity
LD50 orally in Rabbit: > 2500 mg/kg
risk_code
22-36/37/38-43-51/53

Chemistry & industry

Applications · 2 items

Uses1-Bromo-4-(trifluoromethoxy)benzene was used in the synthesis of 4-{[4-[(2-ethylhexyloxy)-6-(4-morpholinylmethyl)-4-trifluoromethyl][1,1-biphenyl]-3-yl]methyl}morpholine.

General Description1-Bromo-4-(trifluoromethoxy)benzene on treatment with lithium diisopropylamide (LIDA) at -100°C gives 5-bromo-2-(trifluoromethoxy)phenyllithium and at -75°C it eliminates lithium bromide, thus generating 1,2-dehydro-4-(trifluoromethoxy)benzene.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

112 records
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Linked notes

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