Basic information
- CAS
141-76-4- Standard SMILES
O=C(O)CCI- InChIKey
KMRNTNDWADEIIX-UHFFFAOYSA-N- Molecular formula
- C3H5IO2
- Average molar mass
- 199.97 g/mol
- Monoisotopic mass
- 199.9334274
Overview
3-Iodopropanoic acid is a member of piperidines.
Names & identifiers
- Preferred name
- Propanoic acid, 3-iodo-
- IUPAC
- 3-iodopropanoic acid
- English name
- 3-Iodopropionic acid
- Molecular formula
- C3H5IO2
- Molecular weight
- 199.98
Names & synonyms
3-IODOPROPIONIC ACID3-Iodopropanoic acid141-76-4Propanoic acid, 3-iodo-beta-Iodopropionic acidPropionic acid, 3-iodo-NSC 2124EINECS 205-499-0CZ2UC966BFBRN 1699514AI3-21060NSC-2124
Show more names
3-iodo-propionicaci3-iodopropanoicacid3-iodo-propanoicaciB-IODOPROPIONIC ACID3-lodopropanoic acidLABOTEST-BB LT001466323-IodopropionicAcid>BETA-IODOPROPIONIC ACID
DTXSID80597104-02-00-00770 (Beilstein Handbook Reference)RefChem:869506DTXCID9034575205-499-03-IODOPROPIONICACIDIodopropanoic acid3-iodo-propionic acid
Database identifiers
- CAS
141-76-4、26834-34-4- PubChem CID
- 8856
- DTXSID
DTXSID8059710- ChEBI
CHEBI:177020- UNII
- CZ2UC966BF
- EC Number
- 205-499-0
- Nikkaji
- J2.539I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 52.8
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Solubility74.3 mg/mL at 25 °C
Melting Point81.5 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 80 · 80-83 °C (lit.)
- Boiling point
- 259.7 · 259.7±23.0 °C(Predicted)
- Density
- 1.9815 · 1.9815 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 1 · pK1:4.08 (25°C)
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- Water Solubility
- 74.3 g/L · 74.3g/L(25 ºC)
- Sensitive
- Light Sensitive
- BRN
- 1699514 · 1699514
- InChI
- InChI=1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
- InChIKey
- KMRNTNDWADEIIX-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCI
- CAS DataBase Reference
- 141 · 141-76-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 UC966BF · CZ2UC966BF
- EPA Substance Registry System
- 3 · Propanoic acid, 3-iodo- (141-76-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338+P310
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-28-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 4900000 · UF4900000
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29159000 · 29159000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.
Not Classified
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UF4900000
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29159000
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338+P310
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 3-iodo-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers77 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
杭州埃肯新材料有限公司15258847994
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [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]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
临沂康爱特化工科技有限公司0523-84506864 15152665088 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [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]
Additional notes
DefinitionChEBI: 3-Iodopropanoic acid is a member of piperidines.
Related reactions
20 records
Compound notes
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