2-Naphthol, 1,6-dibromo-

HCID 27768CAS 16239-18-2
Substructure searchFind similar structures

Basic information

Standard SMILES
Oc1ccc2cc(Br)ccc2c1Br
InChIKey
VKESFYLPKHQOOA-UHFFFAOYSA-N
Molecular formula
C10H6Br2O
Average molar mass
301.96 g/mol
Monoisotopic mass
299.87854

Names & identifiers

Preferred name
2-Naphthol, 1,6-dibromo-
IUPAC
1,6-dibromonaphthalen-2-ol
English name
1,6-Dibromo-2-naphthol
Molecular formula
C10H6Br2O
Molecular weight
301.96

Names & synonyms

1,6-Dibromo-2-naphthol16239-18-22-Naphthalenol, 1,6-dibromo-2-NAPHTHOL, 1,6-DIBROMO-1,6-Dibromo-beta-naphtholAI3-19853NSC 9870EINECS 240-356-6BRN 20922981,6-DIBROMO-2-NAPHTHALENOLDTXSID00751001,6-Dibromonaphthalen-2-ol methanol monosolvate
Show more names
AURORA 701AKOS BBS-00008050Dibromonaphthol,95%1,6-dibromo-2-naphthoOc2ccc1cc(Br)ccc1c2Br1,6-DIBRONO-2-NAPHTHOL
1,6Dibromobetanaphthol2Naphthol, 1,6dibromoRefChem:4771022Naphthalenol, 1,6dibromoDTXCID7035220240-356-61,6-dibromonaphthalen-2-ol1,6-Dibromo-2-hydroxynaphthalene

Database identifiers

CAS
16239-18-2
PubChem CID
27768
DTXSID
DTXSID0075100
UNII
W9S75P5MUJ
EC Number
240-356-6
Nikkaji
J30.406I

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
13

Experimental & physicochemical properties

Physical DescriptionPink powder; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
105 · 105-107 °C(lit.)
Boiling point
368.5 · 368.5±22.0 °C(Predicted)
Density
1.7523 · 1.7523 (rough estimate)
refractive index
1.556 · 1.5560 (estimate)
storage temp.
Sealed in dry,Room Temperature
pka
6.94 · 6.94±0.50(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazards SummaryIntraperitoneal LDLo (mouse) = 500 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See 2-Naphthol.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Safety data

wgk
3
rtecs
QL3500000
hs_code
29081990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses1,6-Dibromo-2-naphthol is used as intermediate for naproxen and nabumetone.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

11 records
New reaction record

Linked notes

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