Basic information
- CAS
15672-88-5- Standard SMILES
CC(C)(C)CCI- InChIKey
KNKFLSQIGYRZAQ-UHFFFAOYSA-N- Molecular formula
- C6H13I
- Average molar mass
- 212.07 g/mol
- Monoisotopic mass
- 212.0062
Names & identifiers
- Preferred name
- 1-Iodo-3,3-dimethylbutane
- IUPAC
- 1-iodo-3,3-dimethylbutane
- English name
- 1-Iodo-3,3-dimethylbutane
- Molecular formula
- C6H13I
- Molecular weight
- 212.07
Names & synonyms
1-IODO-3,3-DIMETHYLBUTANE15672-88-5DTXSID50564440RefChem:231046DTXCID10515216858-677-03,3-dimethyl-1-iodobutaneButane, 1-iodo-3,3-dimethyl-3,3-dimethylbutyl iodideMFCD067977561-iodo-3,3-dimethyl-butaneneohexyl iodide
Show more names
3,?3-?Dimethyl-?1-?iodobutane1-IODO-3,3-DIMETHYLBUTANE1-IODO-3,3-DIMETHYLBUTANE1-IODO-3,3-DIMETHYLBUTANE1-IODO-3,3-DIMETHYLBUTANE
SCHEMBL537409KNKFLSQIGYRZAQ-UHFFFAOYSA-NAKOS014114625AB29727SY335508WS-01631DB-089363D86336
Database identifiers
- CAS
15672-88-5- PubChem CID
- 14824899
- DTXSID
DTXSID50564440- EC Number
- 858-677-0
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 42
Physicochemical properties
- Melting point
- -68.15 °C · -68.15°C (estimate)
- Boiling point
- 174.5 °C · 174.5°C (estimate)
- Density
- 1.42 · 1.4200
- refractive index
- 1.49 · 1.4900
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H335-H302-H319-H332-H312-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- RIDADR
- 1993 · UN1993
- HazardClass
- 3 · 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- ridadr
- UN1993
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_class
- 3
- Hazard statements
- H226-H335-H302-H319-H332-H312-H315
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers10 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [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]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
南京承乾医药科技有限公司025-52791040 18652036685
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
12 records
Compound notes
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