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2,6-Dichloro-4-(2-methylbutan-2-yl)phenol

HCID 345201
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
75908-77-9
Standard SMILES
CCC(C)(C)c1cc(Cl)c(O)c(Cl)c1
InChIKey
PNVAMJAIDPAKST-UHFFFAOYSA-N
Molecular formula
C11H14Cl2O
Average molar mass
233.13 g/mol
Monoisotopic mass
232.0421705

Names & identifiers

Preferred name
2,6-Dichloro-4-(2-methylbutan-2-yl)phenol
IUPAC
2,6-dichloro-4-(2-methylbutan-2-yl)phenol
English name
2,6-Dichloro-4-(tert-pentyl)-phenol
Molecular formula
C11H14Cl2O
Molecular weight
233.13

Names & synonyms

75908-77-92,6-Dichloro-4-(tert-pentyl)phenol2,6-dichloro-4-(2-methylbutan-2-yl)phenolPhenol,2,6-dichloro-4-(1,1-dimethylpropyl)-Phenol, 2,6-dichloro-4-(1,1-dimethylpropyl)-NIOSH/SK9575000DTXSID40322990MFCD00019999NSC402629AKOS005265126NSC-402629AS-92609
Show more names
2,6-Dichloro-4-(1,1-dimethylpropyl)phenol4-(1,1-dimethylpropyl)-2,6-dichlorophenolSK95750000ST505481462,6-Dichloro-4-(1,1-dimethyl-propyl)-phenol2,6-DICHLORO-4-(TERT.-PENTYL)-PHENOLH50252

Database identifiers

CAS
75908-77-9
PubChem CID
345201
DTXSID
DTXSID40322990
EC Number
636-043-2

Properties

Computed structural properties

XLogP
5
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
182

Physicochemical properties

Symbol(GHS)
7 · GHS07,GHS05
Signal word
Danger
Hazard statements
335 · H335-H413-H318-H315
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

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

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS05
Hazard statements
H335-H413-H318-H315
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Chemistry & industry

Suppliers10 total

江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [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]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
苏州西博利生物科技有限公司17326194005 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]

Related reactions

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Compound notes

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