Basic information
- CAS
627-32-7- Standard SMILES
OCCCI- InChIKey
CQVWOJSAGPFDQL-UHFFFAOYSA-N- Molecular formula
- C3H7IO
- Average molar mass
- 185.99 g/mol
- Monoisotopic mass
- 185.95416284
Names & identifiers
- Preferred name
- 3-Iodo-1-propanol
- IUPAC
- 3-iodopropan-1-ol
- English name
- 3-Iodopropan-1-ol
- Molecular formula
- C3H7IO
- Molecular weight
- 185.99
Names & synonyms
3-Iodo-1-propanol3-Iodopropanol1-Propanol, 3-iodo-UNII-2FR2742AOL2FR2742AOLEINECS 210-995-5AI3-618191-HYDROXY-3-IODOPROPANEDTXSID2060838RefChem:94428DTXCID8043496CQVWOJSAGPFDQL-UHFFFAOYSA-N
Show more names
3-iodo-1-propano1-iodopropan-3-olPropylene iodohydrin3-Iodopropanol (stabilized with Copper chip)
627-32-73-iodopropan-1-ol3-iodo-propan-1-olMFCD000603293-hydroxypropyliodide3-Iodopropanol over Cu3-Iodo-1-propanol, 97%3-Iodopropanol (over copper)
Database identifiers
- CAS
627-32-7- PubChem CID
- 69390
- DTXSID
DTXSID2060838- UNII
- 2FR2742AOL
- EC Number
- 210-995-5
- Nikkaji
- J136.505C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 16.4
Physicochemical properties
- Boiling point
- 115 °C · 115°C 38mm
- Density
- 1.942 g/mL · 1.942 g/mL at 25 °C(lit.)
- refractive index
- 1.556 · 1.556
- Flash point
- 110 °C · >110°C
- storage temp.
- 2 · 2-8°C
- pka
- 14.73 · 14.73±0.10(Predicted)
- Specific Gravity
- 1.942 · 1.942
- Appearance
- Gray to brown Liquid
- InChI
- 1S/C3H7IO/c4-2-1-3-5/h5H,1-3H2
- InChIKey
- CQVWOJSAGPFDQL-UHFFFAOYSA-N
- SMILES
- OCCCI
- FDA UNII
- 2 FR2742AOL · 2FR2742AOL
- NIST Chemistry Reference
- 1 · 1-Propanol, 3-iodo-(627-32-7)
- EPA Substance Registry System
- 1 · 1-Propanol, 3-iodo- (627-32-7)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29055900 · 29055900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29055900
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanol, 3-iodo-: INACTIVE
Applications
Uses3-Iodopropan-1-ol is used as a pharmaceutical intermediate in the synthesis of anti-tumour drugs, such as protein degradation-targeting chimeric molecules (PROTACs).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
河北凡博医药科技有限公司15588346797
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
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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]
铜陵立事达化学科技有限公司19064063435 18606623089 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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上海健超生物科技有限公司15021035486 18081542813 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Labex Corporation+91-11-26135922 or +91-11-46160359 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [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]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
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济南嘉彬新材料科技有限公司0531-89293752 18363056853 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [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]
Related reactions
30 records
Compound notes
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