Basic information
- CAS
5586-70-9- Standard SMILES
S=C=NCCCCCCN=C=S- InChIKey
VZZPYUKWXDLMGI-UHFFFAOYSA-N- Molecular formula
- C8H12N2S2
- Average molar mass
- 200.3 g/mol
- Monoisotopic mass
- 200.04419074
Names & identifiers
- Preferred name
- Hexamethylene diisothiocyanate
- IUPAC
- 1,6-diisothiocyanatohexane
- English name
- 1,6-Hexane diisothiocyanate
- Molecular formula
- C8H12N2S2
- Molecular weight
- 200.32
Names & synonyms
5586-70-9Hexamethylene diisothiocyanate37LD7GL3UDHexamethylene 1,6-diisothiocyanateNSC-202579RefChem:10865581,6-Diisothiocyanatohexane1,6-Hexane diisothiocyanateISOTHIOCYANIC ACID, HEXAMETHYLENE ESTERHexane, 1,6-diisothiocyanato-Isothiocyanic acid, hexamethylene diesterMFCD00041137
Show more names
1,6-diisothiocyanato-hexanhexamethylenediisothiocyanateHexamethylenebisisothiocyanateisothiocyanicacid,hexamethyleneester
1,6-HexanediisothiocyanateNSC 202579BRN 1765297UNII-37LD7GL3UDSCHEMBL330913SCHEMBL28727113DTXSID70204457VZZPYUKWXDLMGI-UHFFFAOYSA-N
Database identifiers
- CAS
5586-70-9- PubChem CID
- 21775
- DTXSID
DTXSID70204457- UNII
- 37LD7GL3UD
- EC Number
- 671-086-0
- Nikkaji
- J96.731I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 183 °C · 183 °C
- Density
- 1 · 1,09 g/cm3
- FDA UNII
- 37 LD7GL3UD · 37LD7GL3UD
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HazardClass
- IRRITANT-HARMFUL
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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT-HARMFUL
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses1,6-Hexane diisothiocyanate is a useful research chemical.
Suppliers17 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
菏泽丽泽生物科技有限公司10-15853052 15853052030 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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