Basic information
- Standard SMILES
CCCCCCCI- InChIKey
LMHCYRULPLGEEZ-UHFFFAOYSA-N- Molecular formula
- C7H15I
- Average molar mass
- 226.1 g/mol
- Monoisotopic mass
- 226.02184848
Names & identifiers
- Preferred name
- 1-Iodoheptane
- IUPAC
- 1-iodoheptane
- English name
- 1-Iodoheptane
- Molecular formula
- C7H15I
- Molecular weight
- 226.1
Names & synonyms
1-IODOHEPTANEHeptane, 1-iodo-1-IodomeptaneNSC 7316EINECS 224-285-8DTXSID2063393nHeptyl iodideHeptane, 1iodoRefChem:76097DTXCID6040167224-285-8InChI=1/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H
Show more names
SKL13701-JodheptanHeptyljodid1-IodohptaneI-Iodoheptane1-iodo-heptan
LMHCYRULPLGEEZ-UHFFFAOYSA-N4282-40-0Heptyl iodiden-Heptyl iodide1-iodo-heptaneC7H15IMFCD00001104iodoheptane
Database identifiers
- CAS
4282-40-0- PubChem CID
- 20274
- DTXSID
DTXSID2063393- EC Number
- 224-285-8
- Nikkaji
- J29.176E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 35.4
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
LogP4.7
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -48 °C · -48 °C (lit.)
- Boiling point
- 204 °C · 204 °C (lit.)
- Density
- 1.379 g/mL · 1.379 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.490(lit.)
- Flash point
- 174 °F · 174 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- benzene: miscible(lit.)
- form
- clear liquid
- color
- Colorless to Brown
- Specific Gravity
- 1.379 · 1.379
- Water Solubility
- immiscible
- Sensitive
- Light Sensitive
- BRN
- 1697161 · 1697161
- Henry's Law Constant
- 2.6 · 2.6×10-4 mol/(m3Pa) at 25℃, Abraham (1984)
- Dielectric constant
- 4.9 · 4.9(22℃)
- InChI
- 1S/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H3
- InChIKey
- LMHCYRULPLGEEZ-UHFFFAOYSA-N
- SMILES
- CCCCCCCI
- CAS DataBase Reference
- 4282 · 4282-40-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 1 · 1-Iodoheptane(4282-40-0)
- EPA Substance Registry System
- 1 · Heptane, 1-iodo- (4282-40-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319-H335
- Precautionary statements
- 210 e-P261-P280a-P305+P351+P338-P405-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501 · P210e-P261-P280a-P305+P351+P338-P405-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- RTECS
- 1050000 · MJ1050000
- F
- 8 · 8
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29033080 · 29033080
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.8%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationHeptane, 1-iodo-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 780 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Ethyl iodide.
Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MJ1050000
- hs_code
- 29033080
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H315-H319-H335
- Precautionary statements
- P210e-P261-P280a-P305+P351+P338-P405-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Chemistry & industry
Pharmacology
Metabolism/Metabolites1-iodoheptane has known human metabolites that include heptyl-glutathione.
Uses & manufacturing
General Manufacturing InformationHeptane, 1-iodo-: INACTIVE
Applications
Uses1-Iodoheptane is used in the functionalization of symmetrical star-shaped molecules with carborane clusters.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
武汉问津化学科技有限公司13517196568 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海弘顺生物科技有限公司15901914505 · [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]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [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]
南京圣亿来化工有限公司19951936396 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
唐山默内德贸易有限公司+86-315-8309571 +86-15633399667 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
唐山默内德贸易有限公司0315-8309571 15633399667 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [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]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
海南瀚海致远生物科技有限公司18171012772 · [email protected]
济南嘉彬新材料科技有限公司0531-89293752 18363056853 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18267553885 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
Related reactions
67 records
Linked notes
Loading…