化学百科 / Organic Intermediate / Dyestuff Intermediates / Pharmaceutical Intermediates

2,3-ジクロロアニリン

CAS：608-27-5
MW:162.013
MF：C6H5Cl2N

2,3-Dichloroaniline, with the chemical formula C6H5Cl2N and CAS registry number 608-27-5, is a compound known for its applications in various industries. This colorless to pale yellow solid is characterized by its two chlorine atoms attached to the benzene ring and an amino group. It is commonly used as an intermediate in the production of dyes, pigments, and pharmaceuticals. 2,3-Dichloroaniline is also used as a herbicide and as a corrosion inhibitor in metalworking fluids. It is important to handle this compound with caution as it is toxic and may cause skin and eye irritation. Overall, 2,3-Dichloroaniline plays a significant role in various chemical processes and industries.

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名前と識別子
性質
MSDS情報
NMR スペクトル
計算化学データ
関連する問題
実際の製品情報

1. 名前と識別子

1.1 商品名: 2,3-ジクロロアニリン

1.2 シノニム: 2,3 DICHLORANILINE; 2,3-dichloro-anilin; 2,3-dichloro-benzenamin; 2,3-dichlorobenzenamine; 2,3-Dichlorophenylamine; 2,6-DICHLOROANILINE PESTANAL; 2.3-Dichloroan; 3-Amino-1,2-dichlorobenzene; Aniline, 2,3-dichloro-; Benzenamine, 2,3-dichloro-; Lamotrigine Impurity 7; NSC 60683;

1.3 CAS No.: 608-27-5

1.4 CID: 11844

1.5 EINECS番号: 210-157-9

1.6 分子式: Cl2C6H3NH2

1.7 Inchi: InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2

1.8 InchiKey: BRPSAOUFIJSKOT-UHFFFAOYSA-N

1.9 標準的な SMILES: C1=CC(=C(C(=C1)Cl)Cl)N

1.10 異性体 SMILES: C1=CC(=C(C(=C1)Cl)Cl)N

2. 性質

2.1 pKa: 1.60±0.10(Predicted)

3. MSDS情報

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Skin irritation, Category 2

Skin sensitization, Category 1

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 3

Germ cell mutagenicity, Category 2

Carcinogenicity, Category 1B

Specific target organ toxicity \u2013 repeated exposure, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H301 Toxic if swallowed H311 Toxic in contact with skin H315 Causes skin irritation H317 May cause an allergic skin reaction H318 Causes serious eye damage H331 Toxic if inhaled H341 Suspected of causing genetic defects H350 May cause cancer H372 Causes damage to organs through prolonged or repeated exposure H410 Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P271 Use only outdoors or in a well-ventilated area. P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P273 Avoid release to the environment.
Response	P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P361+P364 Take off immediately all contaminated clothing and wash it before reuse. P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/\u2026 P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P311 Call a POISON CENTER/doctor/\u2026 P308+P313 IF exposed or concerned: Get medical advice/ attention. P314 Get medical advice/attention if you feel unwell. P391 Collect spillage.
Storage	P405 Store locked up. P403+P233 Store in a well-ventilated place. Keep container tightly closed.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

すべてを表示

4. NMR スペクトル

ESR : OXIDATION WITH PERBENZOIC ACID

13C NMR : in CDCl3

13C NMR : Predict

1H NMR : 90 MHz in CDCl3

1H NMR : Predict

Predict 1H proton NMR

IR : liquid film

Mass

Mass spectrum (electron ionization)

5. 合成路線

608-27-5Total: 15 合成路線

88-73-3

608-27-5 66 しいれ業者

95-82-9 121 しいれ業者

608-27-5 66 しいれ業者

すべてを表示

6. 前駆体と製品

上位製品:

20776-62-9

122-28-1

602-03-9

6626-75-1

60956-27-6

95-82-9

下流製品:

230-07-9

2905-60-4

2942-18-9

3218-45-9

1849-71-4

70-55-3

87-61-6

108-42-9

3290-01-5

50-45-3

7. 計算化学データ

Molecular Weight：162.013g/mol
Molecular Formula：C₆H₅Cl₂N
Compound Is Canonicalized：True
XLogP3-AA：160.9799046
Monoisotopic Mass：160.9799046
Complexity：97.1
Rotatable Bond Count：0
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：26
Heavy Atom Count：：9
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBiAAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAIQAAAACAqBECAwwIBAAACAACRCQACCAAAgBwAIikAAZogIICKBk5GAIABgkAAIyAcQAAAAAAAAAAIAABQAAAAABAAAKAAAAAAAAA==

8. Toltal 60 しいれ業者詳細を表示

Jinlan Pharm-Drugs Technology Co., Limited

^1YR

Tel: Update Time:2024/08/08

inquire

Hangzhou ZeErRui Chemical Co., Ltd.

^1YR

Tel: Update Time:2024/03/12

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Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

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Jiaxing Isen Chemical Co.,Ltd

Tel: Update Time:2022/05/26

inquire

Finetech Industry limited.

Tel: Update Time:2018/11/21

inquire

9. 関連する問題

: How to Prepare 2,3-Dichloroaniline?Background and overview[1][2] 2,3-Dichloroaniline is an important organic raw material intermediate. 2,3-Dichloroaniline is widely used in fine chemical industries such as pesticides, pharmaceuticals,..

10. 実際の製品情報