BBD | CAS No. 18378-20-6

BBD

Basic Information

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CAS Number

18378-20-6

Molecular Formula

C13H10N4O3

Molecular Weight

270.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

206-209 ºC

Boiling Point

468°C at 760 mmHg

Flash Point

236.9 °C

Refractive Index

1.6120 (estimate)

SMILES

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C1=CC=C(C=C1)CNC2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O3/c18-17(19)11-7-6-10(12-13(11)16-20-15-12)14-8-9-4-2-1-3-5-9/h1-7,14H,8H2

InChIKey

GZFKJMWBKTUNJS-UHFFFAOYSA-N

LogP

3.33930

Complexity

343

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

对光敏感

Synonyms & References

English

N-benzyl-7-nitro-2,1,3-benzoxadiazol-4-amine
DS-1377
SR-01000459748-1
SR-01000459748-4
2,1,3-benzoxadiazol-4-amine, 7-nitro-n-(phenylmethyl)-
MFCD00038006
AKOS001643932
SR-01000459748-3
NSC240867
W-107793
4-Benzylamino-7-nitrobenzofurazan
AC-24653
7-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-4-amine
Q27123365
NSC 240867
HY-15907
PD012511
4-Benzylamino-7-nitro-2,1,3-benzoxadiazole (BBD)
AKOS040744031
NSC-240867
SR-01000459748
7-Nitro-N-(benzyl)benzofurazan-4-amine
SMR000305494
HMS3365J08
N-benzyl-4-nitro-2,1,3-benzoxadiazol-7-amine
UNII-MKU6C7CU72
BBD, 7-Benzylamino-4-nitrobenz-2-oxa-1,3-diazole
4-Benzylamino-7-nitrobenzofurazan, >=99%
4-Benzofurazanamine, 7-nitro-N-(phenylmethyl)-
AM20060533
HMS2633I21

MDL Number

MFCD00038006

Customs Code

2921499090

FAQ

What are the physical and chemical properties of BBD (CAS: 18378-20-6)?

BBD (CAS: 18378-20-6) is a crystalline compound with a molecular weight of approximately 183.18 g/mol. It is sparingly soluble in water but more soluble in organic solvents like methanol and acetonitrile. Chemically, BBD exhibits moderate reactivity, particularly with nucleophiles and electrophiles, and shows good stability under normal conditions.

How is BBD (CAS: 18378-20-6) typically synthesized?

BBD is synthesized through a multistep process involving the reaction of 2-bromobenzyl bromide with a reducing agent, followed by amination. Commonly, sodium borohydride is used as the reducing agent, providing high selectivity and good yield. The reaction is typically conducted in an organic solvent like acetonitrile.

What industries use BBD (CAS: 18378-20-6)?

BBD (CAS: 18378-20-6) finds applications in pharmaceuticals for the synthesis of certain drugs, in polymer research for the development of functional polymers, in sensor technology for detecting specific analytes, and in semiconductor manufacturing as a precursor in organic synthesis.

What precautions should be taken when handling BBD (CAS: 18378-20-6)?

When handling BBD (CAS: 18378-20-6), it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents and handled according to the Safety Data Sheet (SDS). Storing BBD in a cool, dry place away from direct sunlight is recommended.