3D Mol Similar

3,4-Difluoroaniline

Iupac Name：3,4-difluoroaniline

CAS No.: 3863-11-4

Molecular Weight：129.107406

Modify Date.: 2022-11-29 11:58

Introduction:

clear yellow to straw liquid after melting

View more+

Request For Quotation

1. Names and Identifiers

1.1 Name: 3,4-Difluoroaniline
1.2 Synonyms: 3, 4-2 fluoro aniline 3,4-difluoraniline 3',4'-difluoroaniline 3,4-difluoro-benzenamin 3,4-DIFLUOROBENZENAMINE 3,4-Difluorophenylamine 3,4-fluoroaniline 4,5-Difluoroaniline Aniline, 3,4-difluoro- Benzenamine, 3,4-difluoro- Benzenamine,3,4-difluoro EINECS 223-381-7 Linezolid Aniline Impurity Linezolid Impurity 95 MFCD00007761 NSC 10296 TIMTEC-BB SBB007915 ZR CF DF

1.3 CAS No.: 3863-11-4

1.4 CID: 77469

1.5 EINECS(EC#): 223-381-7

1.6 Molecular Formula: C6H5F2N (isomer)

1.7 Inchi: InChI=1S/C6H5F2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2

1.8 InChkey: AXNUZKSSQHTNPZ-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=C(C=C1N)F)F

1.10 Isomers Smiles: C1=CC(=C(C=C1N)F)F

2. Properties

2.1 Density: 1.302

2.1 Melting point: 22°C

2.1 Boiling point: 77℃ (7 mmHg)

2.1 Refractive index: 1.512-1.514

2.1 Flash Point: 85℃

2.1 Precise Quality: 129.03900

2.1 PSA: 26.02000

2.1 logP: 2.12820

2.1 Appearance: clear liquid

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: clear yellow to straw liquid after melting 3,4-Difluoroaniline Preparation Products And Raw materials Raw materials

2.4 pKa: 3?+-.0.10(Predicted)

2.5 Water Solubility: H2O: SLIGHTLY soluble

3. Safety and Handling

3.1 Hazard Codes: Xn

3.1 Risk Statements: R20/21/22;R36/37/38

3.1 Safety Statements: S26;S36/37/39

3.1 Packing Group: III

3.1 Hazard Class: 6.1

3.1 Hazard Declaration: H302-H315-H319-H335

3.1 RIDADR: UN 2941

3.1 Caution Statement: P261-P305 + P351 + P338

3.1 WGK Germany: 3

3.1 RTECS: CX9871900

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
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. P271 Use only outdoors or in a well-ventilated area.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

5. Synthesis Route

3863-11-4Total: 12 Synthesis Route

369-34-6 208 Suppliers

3863-11-4 216 Suppliers

Literatures:
Tetrahedron Letters, , vol. 51, # 5 p. 786 - 789
Yield: ~80%

367-11-3 121 Suppliers

3863-11-4 216 Suppliers

Literatures:
Molecular crystals and liquid crystals, , vol. 112, # 3-4 p. 165 - 180
Yield: null

371-40-4 158 Suppliers

367-25-9 276 Suppliers

3863-11-4 216 Suppliers

Literatures:
Journal of Fluorine Chemistry, , vol. 126, # 4 p. 661 - 667
Yield: null

View all

6. Precursor and Product

precursor:

127986-80-5

62574-66-7

371-40-4

369-34-6

7439-89-6

2494-79-3

74497-02-2

367-11-3

85118-04-3

127269-25-4

5216-25-1

1321455-41-7

product :

1662-21-1

113028-75-4

458-11-7

885275-07-0

960535-39-1

171111-70-9

113028-17-4

169674-01-5

64465-53-8

70032-25-6

2713-33-9

774-47-0

42601-04-7

221031-08-9

370-58-1

123330-59-6

144298-04-4

71294-07-0

60811-24-7

85462-60-8

330-48-3

154505-91-6

64695-79-0

161886-22-2

78056-39-0

View all

7. Other Information

7.0 Mesh Entry Terms: 3,4-difluoroaniline

8. Computational chemical data

Molecular Weight: 129.107406g/mol
Molecular Formula: C₆H₅F₂N
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 129.03900549
Monoisotopic Mass: 129.03900549
Complexity: 97.1
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
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: AAADcYBiAYAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQAQAAAACAiBEAgwwIBAAACAACRCQACCAAAgAgAIiAAAZIgIICKAkZGAIABgkAAIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9. Recommended Suppliers

Global213SuppliersView all >>

Hubei Jiutian Bio-medical Technology Co., Ltd Diamond member

-119YR

Products:electronic chemicals; pharmaceutical intermediates;pesticide intermediates;ultraviolet absorbent; food additives
Tel:86-173-54350817
Email:Ryan@jiutian-bio.com

3,4-Difluoroaniline 3863-11-4 high purity low price hot sell in stock

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2023/02/03

Inquire

Dayang Chem (Hangzhou) Co., Ltd. Diamond member

-111YR

Products:Chemical products
Tel:86-571-88938639
Email:sales-gc@dycnchem.com

3,4-Difluoroaniline

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2023/06/02

Inquire

SHANDONG BELIEVE CHEMICAL PTE LTD Diamond member

-119YR

Products:Pharmaceutical, chemical technology research and development
Tel:086-0532-80960264
Email:derek@believechem.com

3,4-Difluoroaniline

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/gram
Time: 2023/06/02

Inquire

Nanjing Chemlin Chemical Co., Ltd. Diamond member

-111YR

Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
Tel:86-25-83697070
Email:sales@chemlin.com.cn

3,4-Difluoroaniline