HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2,4,5-Trichlorophenyl disulfide

HCID 77421
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
3808-87-5
Standard SMILES
Clc1cc(Cl)c(SSc2cc(Cl)c(Cl)cc2Cl)cc1Cl
InChIKey
ZUVJVEOHQKNMPN-UHFFFAOYSA-N
Molecular formula
C12H4Cl6S2
Average molar mass
425 g/mol
Monoisotopic mass
421.788559

Names & identifiers

Preferred name
2,4,5-Trichlorophenyl disulfide
IUPAC
1,2,4-trichloro-5-[(2,4,5-trichlorophenyl)disulfanyl]benzene
English name
Bis(2,4,5-trichlorophenyl) disulfide
Molecular formula
C12H4Cl6S2
Molecular weight
425.01

Names & synonyms

3808-87-5Bis(2,4,5-trichlorophenyl) disulfide2,4,5-Trichlorophenyl disulfideBis(2,4,5-trichlorophenyl)disulfideNSC 677440UNII-EE043UTU8OEINECS 223-279-2EE043UTU8ONSC 238936NSC-238936NSC-677440Disulfide, bis(2,4,5-trichlorophenyl)
Show more names
2,4,5-trichlorophenyl disulphideBis(2,4,5-trichlorphenyl)Disulfide2,4,5-Trichlorophenyl disulfide,98%2,4,5-TRICHLOROPHENYL DISULFIDE 98%DI(2,4,5-TRICHLOROPHENYL) DISULFIDEBIS(2,4,5-TRICHLOROPHENYL) DISULPHIDEBis(2,4,5-trichlorophenyl) persulfide
DTXSID1022211DISULFIDE, BIS(2,4,5-TRICHLOROPHENYL)-RefChem:82015DTXCID302211223-279-2ZUVJVEOHQKNMPN-UHFFFAOYSA-N1,2,4-Trichloro-5-[(2,4,5-trichlorophenyl)disulfanyl]benzeneMFCD00000551

Database identifiers

CAS
3808-87-5
PubChem CID
77421
DTXSID
DTXSID1022211

Properties

Computed structural properties

XLogP
7.8
Topological polar surface area
50.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
290

Physicochemical properties

Melting point
140 · 140-144 °C(lit.)
Boiling point
460.9 · 460.9±45.0 °C(Predicted)
Density
1.6505 · 1.6505 (estimate)
form
powder to crystal
color
White to Yellow to Orange
FDA UNII
43 UTU8O · EE043UTU8O
WGK Germany
3 · 3
HS Code
2930.9 · 2930.90.2900

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 · 4 items

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

wgk
3
hs_code
2930.90.2900

Chemistry & industry

Suppliers24 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海创赛科技有限公司

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
ChEMBL
CHEMBL120144
UNII
EE043UTU8O
EC Number
223-279-2
Nikkaji
J151.135A
400-6087598 15021221957 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]