4-Bromophenyl Isothiocyanate - ≥97%(GC) , CAS No.1985-12-2

CAS: 1985-12-2 Cat. No.: B140608 分子式: C7H4BrNS 分子量: 214.08 Beilstein Registry Number: 878549 EC番号: 628-470-8
注文可能
GRADE & PURITY ≥97%(GC)
Synonyms
WLN: SCNR DE | EN300-24199 | FS-3858 | NCIOpen2_003623 | J-802132 | DTXSID30173594 | 1-isothiocyanato-4-bromobenzene | Trichofytocid | I0526 | F1915-0004 | ISOTHIOCYANIC ACID, p-BROMOPHENYL ESTER | AKOS000212188 | 4-Bromophenyl isothiocyanate, 97% | p-Bro
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
★
Size
USA
ドイツ (EU)*
Price
Qty
5g
B140608-5g
2 在庫あり
—

$33.90

$50.90
保存 $17.00 (33.40%)
25g
B140608-25g
2 在庫あり
—

$95.90

$143.90
保存 $48.00 (33.36%)
100g
B140608-100g
2 在庫あり
—

$306.90

$460.90
保存 $154.00 (33.41%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥97%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice 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.

概要

4-Bromophenyl isothiocyanate was used in the synthesis of 1-(4-bromophenyl)-3-ethyl-(1,2-dideoxy-D-glycero-α-D-galacto-heptofurano)[2,1-d]imidazolidine-2-thione.

Specifications

同義語
WLN: SCNR DE | EN300-24199 | FS-3858 | NCIOpen2_003623 | J-802132 | DTXSID30173594 | 1-isothiocyanato-4-bromobenzene | Trichofytocid | I0526 | F1915-0004 | ISOTHIOCYANIC ACID, p-BROMOPHENYL ESTER | AKOS000212188 | 4-Bromophenyl isothiocyanate, 97% | p-Bro
仕様と純度
≥97%(GC)
保管条件
Store at 2-8°C,Argon charged
入荷
Wet ice
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
純度
≥97%(GC)
名前と識別子
パブケム・シド
パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/508813497
カノニカル・スマイル
C1=CC(=CC=C1N=C=S)Br
IUPAC Name
1-bromo-4-isothiocyanatobenzene
InChIKey
XQACWEBGSZBLRG-UHFFFAOYSA-N
INCHI
1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
異性体SMILES
C1=CC(=CC=C1N=C=S)Br
WGKドイツ
3
RTECS
NX8400000
分子量
214.08
Beilstein
878549
Reaxy-Rn
878549
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878549&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
分類Benzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Not available
Direct ParentBromobenzenes
Alternative Parents Aryl bromides  Isothiocyanates  Propargyl-type 1,3-dipolar organic compounds  Organopnictogen compounds  Organonitrogen compounds  Organobromides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Bromobenzene - Aryl halide - Aryl bromide - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
説明This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
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 Type日付商品
B2311475Certificate of AnalysisJan 11, 2023 B140608
B2311484Certificate of AnalysisJan 11, 2023 B140608
B2311533Certificate of AnalysisJan 11, 2023 B140608
K2511757Certificate of AnalysisJan 11, 2023 B140608
化学的性質と物理的性質
感度Moisture Sensitive
引火点(°F)>230°F
引火点(°C)>110℃
沸点(°C)144-145℃/5mmHg
融点(°C)58-62℃
分子量214.080 g/mol
XLogP34.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass212.925 Da
Monoisotopic Mass212.925 Da
Topological Polar Surface Area44.500 Ų
Heavy Atom Count10
Formal Charge0
Complexity146.000
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
ソリューション計算機
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