Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCCI- InChIKey
ZNJOCVLVYVOUGB-UHFFFAOYSA-N- Molecular formula
- C18H37I
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.19399918
Names & identifiers
- Preferred name
- 1-Iodooctadecane
- IUPAC
- 1-iodooctadecane
- English name
- 1-Iodooctadecane
- Molecular formula
- C18H37I
- Molecular weight
- 380.39
Names & synonyms
1-IODOOCTADECANEOctadecane, 1-iodo-n-Octadecyl iodideNSC 5544EINECS 211-117-3DTXSID7060881Octadecane, 1iodoRefChem:76102DTXCID2043583211-117-3ZNJOCVLVYVOUGB-UHFFFAOYSA-N629-93-6
Show more names
IododecaneOtadecyl iodide1-iodo-octadecanIodooctadecane,98%OctadecylIodide>97%
Octadecyl iodideStearyl iodideiodooctadecaneMFCD00001090K8J7D7A7XGNSC-5544C18H37Ioctadecyliodide
Database identifiers
- CAS
629-93-6- PubChem CID
- 12402
- DTXSID
DTXSID7060881- UNII
- K8J7D7A7XG
- EC Number
- 211-117-3
- Nikkaji
- J526F
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 16
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
Physical DescriptionLight yellow paste; mp = 33-35 deg C; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 33 · 33-35 °C (lit.)
- Boiling point
- 194 · 194-197 °C/2 mmHg (lit.)
- Density
- 1.0959 · 1.0959 (rough estimate)
- refractive index
- 1.4762 · 1.4762 (estimate)
- Flash point
- 110 °C · 110 °C
- storage temp.
- RT, protect from light
- solubility
- within almost transparency in Toluene
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- BRN
- 1755880 · 1755880
- InChI
- InChI=1S/C18H37I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
- InChIKey
- ZNJOCVLVYVOUGB-UHFFFAOYSA-N
- SMILES
- C(I)CCCCCCCCCCCCCCCCC
- CAS DataBase Reference
- 629 · 629-93-6(CAS DataBase Reference)
- FDA UNII
- 8 J7D7A7XG · K8J7D7A7XG
- EPA Substance Registry System
- 1 · Octadecane, 1-iodo- (629-93-6)
- 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
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 8 · 8-10
- TSCA
- TSCA listed
- HS Code
- 29033990 · 29033990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29033990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- 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
Uses & manufacturing
General Manufacturing InformationOctadecane, 1-iodo-: INACTIVE
Applications
UsesReagent for introduction of C18 chain.
Upstream & downstream products
Downstream products
Suppliers50 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]
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上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
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PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
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上海毕得医药科技股份有限公司400-164-7117 18317119277 · [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]
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启源（广东）医药化工有限公司18026564465 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
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上海源叶生物科技有限公司13636370518 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [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]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
巴师傅（上海）生物医药科技有限公司60662071 18117346937 · [email protected]
Related reactions
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