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1,1,1-Trifluoro-3-iodopropane

HCID 156165
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
460-37-7
Standard SMILES
FC(F)(F)CCI
InChIKey
ULIYQAUQKZDZOX-UHFFFAOYSA-N
Molecular formula
C3H4F3I
Average molar mass
223.96 g/mol
Monoisotopic mass
223.93098279

Names & identifiers

Preferred name
1,1,1-Trifluoro-3-iodopropane
IUPAC
1,1,1-trifluoro-3-iodopropane
English name
1-Iodo-3,3,3-trifluoropropane
Molecular formula
C3H4F3I
Molecular weight
223.96

Names & synonyms

1,1,1-Trifluoro-3-iodopropane460-37-7DTXSID10963475RefChem:70859DTXCID301018025670-532-11-Iodo-3,3,3-trifluoropropane3-iodo-1,1,1-trifluoropropane3,3,3-Trifluoropropyl IodideMFCD0003853171215-70-8Propane, 1,1,1-trifluoro-3-iodo-
Show more names
uoro-3-iodopropane3,3,3-Trifluoropropyl iod...1-lodo-3,3,3-trifluoro propane1-IODO-2-(PERFLUOROALKYL)ETHANE1-Iodo-3,3,3-trifluoropropane98%
1,1,1-trifluoro-3-iodo-propane1-Iodo-3,3,3-trifluoropropane 98%trifluoroiodopropaneJF10009SCHEMBL99843,3,3-Trifluoropropyliodide3,3,3-trifluoropropyl iodid3,3,3-trifluoro-1-iodopropane

Database identifiers

CAS
460-37-7、71215-70-8
PubChem CID
156165
DTXSID
DTXSID10963475
EC Number
670-532-1
Nikkaji
J151.442C

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
7
Formal charge
0
Complexity
48.6

Physicochemical properties

Boiling point
80 °C · 80 °C(lit.)
Density
1.911 g/mL · 1.911 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.42(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C(protect from light)
form
Liquid
Specific Gravity
1.911 · 1.911
color
Clear colorless to pink
Sensitive
Light Sensitive
BRN
1698182 · 1698182
InChI
InChI=1S/C3H4F3I/c4-3(5,6)1-2-7/h1-2H2
InChIKey
ULIYQAUQKZDZOX-UHFFFAOYSA-N
SMILES
C(F)(F)(F)CCI
CAS DataBase Reference
460 · 460-37-7(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-P271-P280
PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36/37/39-24/25
WGK Germany
3 · 3
Hazard Note
Irritant/Light Sensitive
HazardClass
IRRITANT
HS Code
29037990 · 29037990
Storage Class
10 · 10 - Combustible liquids

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 · 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPoly(difluoromethylene), .alpha.-fluoro-.omega.-(2-iodoethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
3
hs_code
29037990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant/Light Sensitive
safety_code
26-36/37/39-24/25
hazard_class
IRRITANT
Storage Class
10 - Combustible liquids
Hazard statements
H315-H319-H335
Precautionary statements
P261-P271-P280

Chemistry & industry

Applications

Uses1,1,1-Trifluoro-3-iodopropane may be used in the preparation of quaternary salt, 1-methyl-3-trifluoropropylimidazolium iodide.', 'Used in a study of the quarternization of pyrazine, pyridazine, and pyrimidine.

Preparation methods · 1 item

Preparation50 g of 1-chloro-3,3,3-trifluoropropane, 68 g of sodium iodide, and 100 g of acetone were added to a 300 mL autoclave equipped with a stirrer, sampling tube, and a seal. The autoclave was heated in an oil bath at 100°C with stirring. The reaction was initiated and continued for 36 hours, during which time sampling was performed. The reaction was terminated because the conversion rate exceeded 90%. The contents of the autoclave were filtered, and the precipitate was washed with acetone. 212 g of a 1,1,1-trifluoro-3-iodopropane solution was obtained. The resulting solution was subjected to precision distillation to separate the fraction with a boiling point of 88–91°C. 59 g of 1-IODO-3,3,3-TRIFLUOROPROPANE was obtained with a purity of 99.5%. The yield of the 1-chloro-3,3,3-trifluoropropane feedstock was 70%.

Upstream & downstream products

Downstream products

4,4,4-Trifluoro-1-phenylbutan-1-onePiperazine, 1-(3,3,3-trifluoropropyl)- (9CI)

Suppliers100 total

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]
上海恩氟佳科技有限公司15800445152 · [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]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
杭州安嘉睿科技有限公司571-89189769 15168342188
西氟科技有限公司0531-85906692 15588812394
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
上氟科技021-65170832 15601903708
越林试剂021-62960152 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
苏州中博化工科技有限公司15250602200 · [email protected]
Yangzhou Model Electronic Materials Co., Ltd.+8613761402923 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
南京克迪特贸易有限公司025-52164950 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
济南朗化化工有限公司0531-85906691 18660816586 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海兴鲁化工科技有限公司02120970332 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
池州凯隆进出口贸易有限公司[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]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
斯派螺(武汉)药物研发有限公司[email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
成都京欣科技有限公司028-85005297 13980656781 · [email protected]

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes