3,5-Dichlorophenyl isothiocyanate - ≥98% , CAS No.6590-93-8

CAS: 6590-93-8 Cat. No.: D140571 Fórmula: C7H3Cl2NS Peso molecular: 204.08 Beilstein Registry Number: 879282 Número CE: 625-608-9
Disponível para encomenda
GRADE & PURITY ≥98%
Synonyms
3,5-Dichlorophenyl isothiocyanate|6590-93-8|1,3-Dichloro-5-isothiocyanatobenzene|MFCD00041072|Benzene, 1,3-dichloro-5-isothiocyanato-|1,3-Dichloro-5-isothiocyanato-benzene|Benzene,1,3-dichloro-5-isothiocyanato-|SCHEMBL1457225|3,5-dichloroisothiocyanatoben
Storage
Room temperature
Shipped In
Normal
★
Size
USA
Alemanha (EU)*
Price
Qty
1g
D140571-1g
1 Em stock
—

70,90US$

83,90US$
Gravar 13,00 US$ (15.49%)
5g
D140571-5g
1 Em stock
—

208,90US$

289,90US$
Gravar 81,00 US$ (27.94%)
25g
D140571-25g
Sob encomenda · 8–12 semanas

775,90US$

1006,90US$
Gravar 231,00 US$ (22.94%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
3,5-Dichlorophenyl isothiocyanate | 6590-93-8 | 1,3-Dichloro-5-isothiocyanatobenzene | MFCD00041072 | Benzene, 1,3-dichloro-5-isothiocyanato- | 1,3-Dichloro-5-isothiocyanato-benzene | Benzene,1,3-dichloro-5-isothiocyanato- | SCHEMBL1457225 | 3,5-dichloroisothiocyanatoben
Especificações e pureza
≥98%
Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Pureza
≥98%
Nomes e identificadores
Pubchem Sid504757172
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504757172
Sorrisos canónicosC1=C(C=C(C=C1Cl)Cl)N=C=S
IUPAC Name1,3-dichloro-5-isothiocyanatobenzene
InChIKeyJLEMKZDHFGCHLO-UHFFFAOYSA-N
INCHI1S/C7H3Cl2NS/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
SMILES isoméricas C1=C(C=C(C=C1Cl)Cl)N=C=S
WGK Alemanha 3
Peso molecular 204.08
Beilstein 879282
Reaxy-Rn 879282
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879282&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Chlorobenzenes
Direct ParentDichlorobenzenes
Alternative Parents Aryl chlorides  Isothiocyanates  Propargyl-type 1,3-dipolar organic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDataItem
B2327578Certificate of AnalysisFeb 06, 2023 D140571
B2327636Certificate of AnalysisFeb 06, 2023 D140571
B2327638Certificate of AnalysisFeb 06, 2023 D140571
F2301034Certificate of AnalysisFeb 06, 2023 D140571
Propriedades químicas e físicas
SensibilidadeMoisture Sensitive
Ponto de inflamação (°F)>230°F
Ponto de inflamação (°C)>110℃
Ponto de ebulição (°C)137-138℃/9mmHg
Ponto de fusão (°C)44-48℃
Peso molecular204.080 g/mol
XLogP34.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass202.936 Da
Monoisotopic Mass202.936 Da
Topological Polar Surface Area44.500 Ų
Heavy Atom Count11
Formal Charge0
Complexity169.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.