1-Iodo-4-(trifluoromethoxy)benzene (HCID 2777294)

Names & identifiers

Preferred name: 1-Iodo-4-(trifluoromethoxy)benzene
IUPAC: 1-iodo-4-(trifluoromethoxy)benzene
English name: 1-Iado-4-(trifluoromethoxy)benzene
Molecular formula: C7H4F3IO
Molecular weight: 288.01

Names & synonyms

1-Iodo-4-(trifluoromethoxy)benzene103962-05-6RTUDBROGOZBBIC-UHFFFAOYSA-DTXSID20380457RefChem:76088DTXCID60331483628-163-9InChI=1/C7H4F3IO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H4-(Trifluoromethoxy)iodobenzene1-Iado-4-(trifluoromethoxy)benzeneMFCD000424114-(Trifluoromethoxy)-iodobenzene

Show more names

TrifluoroMethoxy)iodobenzenα,α,α-Trifluoro-4-iodoanisoleTrifluoromethoxyphenyl iodide4-(Trifluoromethoxy)iodobenzen4-IODO TRIFLUOROMETHOXY BENZENEFor trifluoromethoxy iodobenzene

1-Iodo-4-trifluoromethoxybenzene4-iodo-1-trifluoromethoxybenzene1-iodo-4-trifluoromethoxy-benzeneCS-W0040814-iodotrifluoromethoxybenzenep-(trifluoromethoxy)iodobenzenep-iodotrifluoromethoxybenzeneBenzene, 1-iodo-4-(trifluoromethoxy)-

Database identifiers

CAS: 103962-05-6
PubChem CID: 2777294
DTXSID: DTXSID20380457
EC Number: 628-163-9
Nikkaji: J259.265G

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 140

Physicochemical properties

Boiling point: 177 · 177-179 °C(lit.)
Density: 1.84 g/mL · 1.84 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.504(lit.)
Flash point: 172 °F · 172 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Liquid
color: Colorless to pale yellow
Sensitive: Light Sensitive
BRN: 6193794 · 6193794
InChI: 1S/C7H4F3IO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H
InChIKey: RTUDBROGOZBBIC-UHFFFAOYSA-N
SMILES: FC(F)(F)Oc1ccc(I)cc1
CAS DataBase Reference: 103962 · 103962-05-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29093090 · 29093090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 47 reports by companies from 7 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

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29093090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

3-(Trifluoromethoxy)iodobenzene 1-Iodo-2-(trifluoromethoxy)benzene 1-Bromo-4-(trifluoromethoxy)benzene 1,2,4-Triazole Iodobenzene 4-(Trifluoromethoxy)aniline 4-Iodoaniline

Downstream products

6-(Trifluoromethoxy)-3,4-dihydronaphthalen-1(2H)-one 2-AMino-5-(4-trifluoroMethoxyphenyl)pyridine 3-(4-(trifluoromethoxy)phenyl)prop-2-yn-1-ol

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]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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

河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]

Related reactions

74 records

New reaction record

HRID 59878As reactantuspto-grants-2016_09

HRID 62061As reactantuspto-grants-2016_09

HRID 103008As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 120542As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 121332As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 138803As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161256As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 189641As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

Loading…

Basic information