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1,1,2,2,3,3,4,4-Octafluoro-1,4-diiodobutane

HCID 78993
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
375-50-8
Standard SMILES
FC(F)(I)C(F)(F)C(F)(F)C(F)(F)I
InChIKey
JILAKKYYZPDQBE-UHFFFAOYSA-N
Molecular formula
C4F8I2
Average molar mass
453.84 g/mol
Monoisotopic mass
453.79617

Names & identifiers

Preferred name
1,1,2,2,3,3,4,4-Octafluoro-1,4-diiodobutane
IUPAC
1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane
English name
1,4-Diiodooctafluorobutane
Molecular formula
C4F8I2
Molecular weight
453.84

Names & synonyms

1,1,2,2,3,3,4,4-Octafluoro-1,4-diiodobutane1,4-DiiodoperfluorobutaneEINECS 206-788-4RefChem:409544206-788-41,4-Diiodooctafluorobutane375-50-8Octafluoro-1,4-diiodobutanePerfluoro-1,4-diiodobutaneMFCD00042263Butane, 1,1,2,2,3,3,4,4-octafluoro-1,4-diiodo-1,1,2,2,3,3,4,4-octafluoro-1,4-diiodo-butane
Show more names
1,4-DiiodooctafluoPerfluorodiiodobutanecas no 375-50-8 for salecas no 375-50-8 price USD1,4-Diiodoperfluorobutane 98%
DTXSID30190948Octafluoro-1,4-diiodobutane (stabilized with Copper chip)C4F8I2SCHEMBL52263I(CF2)4IOctafluoro-1,4-diiodobutane, 98%AKOS015853707FS-4159

Database identifiers

CAS
375-50-8
PubChem CID
78993
DTXSID
DTXSID30190948
EC Number
206-788-4
Nikkaji
J28.281B

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
199

Experimental & physicochemical properties

PFAS · 5 items

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS -> Other/unspecified

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
9 °C · −9 °C(lit.)
Boiling point
150 °C · 150 °C(lit.)
Density
2.474 g/mL · 2.474 g/mL at 25 °C(lit.)
vapor pressure
16 hPa · 16hPa at 25℃
refractive index
20 · n20/D 1.429(lit.)
Flash point
85 °C/100mm · 85°C/100mm
storage temp.
Refrigerator
solubility
Chloroform (Sparingly), Hexane (Slightly)
form
Liquid

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 · 5 items

This chemical does not meet GHS hazard criteria for 75.8% (47 of 62) of all reports.

Warning

H315 (12.9%): 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 62 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationREACH registered substance: 1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane (EC: 206-788-4)
Hazard Classes and CategoriesSkin Irrit. 2 (12.9%)

Safety data

wgk
3
hs_code
29034980
risk_code
20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
T
safety_code
26-36/37/39
hazard_class
TOXIC
Storage Class
10 - Combustible liquids
Hazard statements
H315-H319-H335
REACH Registrations
Active
Precautionary statements

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications · 2 items

Uses1,4-Diiodooctafluorobutane is a chain transfer agent, which is used in method for producing fluoropolymer for perfluoroelastomer.

General DescriptionOctafluoro-1,4-diiodobutane (ofib, C4F8I2) is also referred to as 1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane. It acts as a halogen bond donor compound and its cocrystallization with methyldiphenylphosphine oxide (mdppo) has been investigated. In combination with a calixcrown compound ofib forms a ′binary host′ system, which is employed for the isolation of cesium iodide from aqueous to fluorous phase.

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [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]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
泰州葛林美克医药科技有限公司15366892466 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

6 records
New reaction record
HRID 1353019 reaction equation
HRID 1353019As reactantuspto-grants-2007_05
HRID 1353023 reaction equation
HRID 1353023As reactantuspto-grants-2007_05
HRID 1764485 reaction equation
HRID 1764485As reactantuspto-grants-1978_09
HRID 1764486 reaction equation
HRID 1764486As reactantuspto-grants-1978_09
HRID 1764487 reaction equation
HRID 1764487As reactantuspto-grants-1978_09
HRID 2336164 reaction equation
HRID 2336164As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
color
Clear colorless to light yellow or pink
Water Solubility
9.3 mg/L · 9.3mg/L at 20℃
Sensitive
Light Sensitive
BRN
1777548 · 1777548
Stability
Stable, but light sensitive. Incompatible with active metals, strong oxidants.
InChI
1S/C4F8I2/c5-1(6,3(9,10)13)2(7,8)4(11,12)14
InChIKey
JILAKKYYZPDQBE-UHFFFAOYSA-N
SMILES
FC(F)(I)C(F)(F)C(F)(F)C(F)(F)I
LogP
3.8 · 3.8
CAS DataBase Reference
375 · 375-50-8(CAS DataBase Reference)
NIST Chemistry Reference
1 · Butane, 1,1,2,2,3,3,4,4-octafluoro-1,4-diiodo-(375-50-8)
EPA Substance Registry System
-1 · Perfluoro-1,4-diiodobutane (375-50-8)
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-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes
T
Risk Statements
20 · 20/21/22-36/37/38
Safety Statements
26 · 26-36/37/39
WGK Germany
3 · 3
HazardClass
TOXIC
HS Code
29034980 · 29034980
Storage Class
10 · 10 - Combustible liquids
REACH Registrations
Active
P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
INTATRADE GmbH
+49 3493/605464 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
广州济成进出口贸易有限公司13682223272 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
杭州安嘉睿科技有限公司571-89189769 15168342188
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上氟科技021-65170832 15601903708 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
时美拓特种气体(上海)有限公司18557025385 15757158480 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
深圳市倍素特科技有限公司[email protected] · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
重庆卡兰医药有限公司023-62879767 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
石家庄通洋进出口有限公司[email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18049756717 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
Anhuyan (Hainan) Biotechnology Co., LTD+86-18163349544 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
上海众巍化学有限公司18824865657 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]