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1-(Chloromethyl)naphthalene

1-(Chloromethyl)naphthalene structure

CAS No:
86-52-2
Formula:
C11H9Cl
Chemical Name:
1-(Chloromethyl)naphthalene
Synonyms:
Naphthalene,1-(chloromethyl)-;1-(Chloromethyl)naphthalene;α-(Chloromethyl)naphthalene;1-Naphthylmethyl chloride;α-Naphthylmethyl chloride;1-Naphthalenylmethyl chloride;NSC 8473;1-Naphthalylmethyl chloride;1-(Chloromethyl)naphthalen
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

Solid

1-(Chloromethyl)naphthalene is used in the identification of Novel p38α MAP Kinase Inhibitors. It is also used in the Identification of 1,5-Naphthyridine derivatives as a novel series of potent and selective TGF-β type I receptor inhibitors.

1-(Chloromethyl)naphthalene Basic Attributes

Molecular Weight：

176.64

Exact Mass：

176.64

BRN：

636885

EC Number：

201-678-2

UNII：

KD3RZ3R8C4

NSC Number：

8473

DSSTox ID：

DTXSID5058939

HScode：

29036990

Characteristics

PSA：

XLogP3：

3.7

Appearance：

deep brown Liquid After Melting

Density：

1.174 g/cm³ @ Temp: 20 °C

Melting Point：

32 °C

Boiling Point：

291.5 °C

Flash Point：

>230 °F

Refractive Index：

1.631

Water Solubility：

Insoluble in water.

Storage Conditions：

Refrigerator

Toxicity：

Oral-Rat LD50: 890/kg; Skin-rat LD50:> 5000mg/kg

Flammability characteristics：

Flammable, decomposes toxic chloride gas when burning

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

21/22-34-36/37/38-36-20/21/22

safety instructions：

26-36/37/39-45-60-20-27

RTECS Number：

QJ2800000

Marks：

C,Xn

Storage features：

Warehouse low temperature, ventilated, dry

Stability/Shelf Life：

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

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H302-H312-H314

RIDADR：

UN 3261 8

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 56 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

1-chloromethylnaphthalene

1-(Chloromethyl)naphthalene Use and Manufacturing

Methods of Manufacturing

From naphthalene chloromethylation system. Heat the naphthalene, polyoxymethylene, glacial acetic acid, 85% phosphoric acid and concentrated hydrochloric acid to 85°C and stir vigorously for 6 hours. After the reaction was completed, it was cooled to 15°C and washed with water. Finally, wash with 10% potassium carbonate solution, separate the water layer, add ether, and dry with anhydrous sodium carbonate. Then the ether is evaporated under normal pressure, the remainder is distilled under reduced pressure, and the fraction at 128-135°C (0.67kPa) is collected to obtain the finished product. In addition, 1-methylnaphthalene chlorination can also produce the product.

Uses

Used in synthetic resin, medicine, etc.

Manufacturing Info：

Naphthalene, 1-(chloromethyl)-: ACTIVE

Computed Properties

Molecular Weight:176.64
XLogP3:3.7
Rotatable Bond Count:1
Exact Mass:176.0392780
Monoisotopic Mass:176.0392780
Heavy Atom Count:12
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

113688-53-2

61767-59-7

1233-36-9

24973-91-9

Material

Chlorosuccinimide

Paraformaldehyde

Sodium carbonate

Formaldehyde

Carbon tetrachloride

Naphthalene

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Guide of 1-(Chloromethyl)naphthalene

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Synthesis Route
Material
Recommended Suppliers
Latest News
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1-(Chloromethyl)naphthalene

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