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Nitrofungin

Nitrofungin structure

CAS No:
619-08-9
Formula:
C6H4ClNO3
Chemical Name:
Nitrofungin
Synonyms:
Phenol,2-chloro-4-nitro-;2-Chloro-4-nitrophenol;Nitrofungin;NSC 1316
Categories:
Analytical Chemistry > Standard

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Description

white to beige crystalline powder or crystals

Nitrofungin Basic Attributes

Molecular Weight：

173.55

Exact Mass：

173.55

BRN：

2046372

EC Number：

210-578-8

UNII：

Y2V03M9UL8

NSC Number：

1316

DSSTox ID：

DTXSID0060694

HScode：

29089000

Characteristics

PSA：

XLogP3：

2.3

Appearance：

White to beige Crystalline Powder or Crystals

Density：

1.6±0.1 g/cm3

Melting Point：

110-111 °C

Boiling Point：

290.6°C at 760 mmHg

Flash Point：

129.6±23.2 °C

Refractive Index：

1.627

Water Solubility：

H2O: slightly soluble

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Toxicity：

Oral-rat LD50: 900 mg/kg; Abdominal cavity-mouse LD50: 80 mg/kg

Flammability characteristics：

Open flames are flammable; heated to decompose toxic nitrogen oxides and chloride gases

Safety Information

Transport codes：

2811

wgk germany：

hazard class code：

20/21/22-36/37/38-22

safety instructions：

26-36-37/39

RTECS Number：

SK5075000

Marks：

Xn,Xi

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Explosive characteristics：

Explosion by impact or high heat

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (100%): 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 50 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

2-chloro-4-nitrophenol

Nitrofungin Use and Manufacturing

Methods of Manufacturing

It is obtained by chlorination of p-nitrophenol. Mix p-nitrophenol and concentrated hydrochloric acid and heat to dissolve. After cooling, slowly add potassium chlorate aqueous solution, stir for half an hour after the addition, let it stand overnight, filter, and wash with water to remove the acidity to obtain the crude product. The crude product is dissolved in hot water at 80-90°C and a little acetic acid, decolorized, filtered, and cooled. Needle-shaped crystals are precipitated to become the finished product.

Uses

For organic synthesis

Manufacturing Info：

Phenol, 2-chloro-4-nitro-: ACTIVE

Computed Properties

Molecular Weight:173.55
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:172.9879707
Monoisotopic Mass:172.9879707
Topological Polar Surface Area:66
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Potassium hydroxide

Ethanol

Dimethyl sulfoxide

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2-Chloro-4-nitrophenol CAS:619-08-9

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2-Chloro-4-nitrophenol

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