Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Organic Intermediate  /  Pharmaceutical Intermediates  /  Organic Intermediates  /  Others  /  Custom Manufacturing
(3-chloro-4-hydroxybenzylidene)propanedioic acid structure
(3-chloro-4-hydroxybenzylidene)propanedioic acid structure

(3-chloro-4-hydroxybenzylidene)propanedioic acid

Iupac Name:2,4-dichloro-6-nitrophenol
CAS No.:609-89-2
Molecular Weight:207.99892
1. Names and Identifiers
1.1 Name
(3-chloro-4-hydroxybenzylidene)propanedioic acid
1.2 Synonyms

(3-chloro-4-hydroxybenzylidene)malonic acid 2-[(3-chloro-4-hydroxyphenyl)methylidene]propanedioic acid AC1L1CUW brn 3308878 DTXSID50224097 malonic acid (3-chloro-4-hydroxybenzylidene)- malonic acid, (3-chloro-4-hydroxybenzylidene)- propanedioic acid, ((3-chloro-4-hydroxyphenyl)methylene)-

1.3 CAS No.
609-89-2
1.4 CID
11871
1.5 Molecular Formula
C20H30ClNO3 (isomer)
1.6 Inchi
InChI=1S/C6H3Cl2NO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H
1.7 InChkey
LYPMXMBQPXPNIQ-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=C(C=C(C(=C1[N+](=O)[O-])O)Cl)Cl
1.9 Isomers Smiles
C1=C(C=C(C(=C1[N+](=O)[O-])O)Cl)Cl
2. Properties
3.1 Melting Point
118-120℃
3.2 Refractive Index
1.6390 (estimate)
3. Safety and Handling
4.1 Risk Statements
R20/21/22;R41
4.2 Safety Statements
S26;S28;S36/37/39
4.3 HazardClass
4.1
4.4 PackingGroup
III
4.5 Transport
UN 2811
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye 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.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:207.99892g/mol
  • Molecular Formula:C20H30ClNO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:206.9489983
  • Monoisotopic Mass:206.9489983
  • Complexity:184
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:66
  • Heavy Atom Count:12
  • 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
6. Recommended Suppliers
Global34SuppliersView all >>
  • Products:Cangzhou Enke Pharma-tech Co.,Ltd (China) is a leading manufacturer of innovative chemistry products and services throughout the pharmaceutical R&D process and commercial production.
  • Tel:0086-317-5296180
  • Email:sale@enkepharma.com
2,4-Dichloro-6-nitrophenol
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 111 USD/Kilogram
  • Time: 2021/09/17
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
2,4-Dichloro-6-nitrophenol
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 3 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:API, Pharmaceutical intermediates, photoelectronic Materials
  • Tel:86-21-60542966
2,4-Dichloro-6-nitrophenol
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2017/06/28
Inquire
  • Products:custom synthesis,Lab reagent,CRO,CMO,R&D research chemicals.such as CAS:4651-67-6;CAS:99-16-1;CAS:145100-50-1
  • Tel:86-27-87465837
2,4-Dichloro-6-nitrophenol
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/11/21
Inquire
  • Products:Chlorodimethylsilane;1,1,3,3-tetramethyldisiloxane
  • Tel:0086-531-58773055
2,4-DICHLORO-6-NITROPHENOL
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/11/21
Inquire