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5-Methyl-2-nitrophenol

5-Methyl-2-nitrophenol structure

CAS No:
700-38-9
Formula:
C7H7NO3
Chemical Name:
5-Methyl-2-nitrophenol
Synonyms:
Phenol,5-methyl-2-nitro-;m-Cresol,6-nitro-;5-Methyl-2-nitrophenol;2-Nitro-5-methylphenol;3-Methyl-6-nitrophenol;6-Nitro-m-cresol;3-Hydroxy-4-nitrotoluene;6-Nitro-3-methylphenol;NSC 3142;2-Hydroxy-4-methyl-1-nitrobenzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

YELLOW TO GREENISH CRYSTALLINE CHUNKS

5-Methyl-2-nitrophenol Basic Attributes

Molecular Weight：

153.14

Exact Mass：

153.14

EC Number：

211-843-0

UNII：

Z0B5EO9752

NSC Number：

3142

DSSTox ID：

DTXSID00220261

HScode：

2908999090

Characteristics

PSA：

XLogP3：

2.3

Appearance：

Yellow to green crystals or chunks.

Density：

1.3±0.1 g/cm3

Melting Point：

53 °C

Boiling Point：

252.4°C at 760 mmHg

Flash Point：

109.4±0.0 °C

Refractive Index：

1.597

Water Solubility：

0.00 M

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.02 mmHg

Henrys Law Constant：

1.28e-05 atm-m3/mole

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2446

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

SM1130950

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (15.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:153.14
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:153.042593085
Monoisotopic Mass:153.042593085
Topological Polar Surface Area:66
Heavy Atom Count:11
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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