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1,4-Benzenediol, 1-benzoate

1,4-Benzenediol, 1-benzoate structure

CAS No:
2444-19-1
Formula:
C13H10O3
Chemical Name:
1,4-Benzenediol, 1-benzoate
Synonyms:
1,4-Benzenediol,1-benzoate;Hydroquinone,monobenzoate;1,4-Benzenediol,monobenzoate;Hydroquinone,benzoate;Hydroquinone,benzoate (mono-);p-Hydroxyphenyl benzoate;4-(Benzoyloxy)phenol;4-Hydroxyphenyl benzoate;NSC 48470;p-Hydroquinone monobenzoate

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1,4-Benzenediol, 1-benzoate Basic Attributes

Molecular Weight：

214.21700

Exact Mass：

214.22

EC Number：

219-479-4

UNII：

ZCY7O225CP

NSC Number：

48470

DSSTox ID：

DTXSID9051905

HScode：

2916310090

Characteristics

PSA：

46.53000

XLogP3：

2.61140

Density：

1.25g/cm3

Melting Point：

163-164 °C @ Solvent: Water

Boiling Point：

376.6ºC at 760mmHg

Flash Point：

164.7ºC

Refractive Index：

1.615

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36

Precautionary statement(s)：

P261, P272, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H315 (11.63%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:214.22
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:214.062994177
Monoisotopic Mass:214.062994177
Topological Polar Surface Area:46.5
Heavy Atom Count:16
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4-Benzenediol, 1-benzoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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1,4-Benzenediol, 1-benzoate

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