Isothiocyanic Acid 2-Fluorophenyl Ester - ≥97% , CAS No.38985-64-7

CAS: 38985-64-7 Cat. No.: I770252 分子式: C7H4FNS 分子量: 153.17 Beilstein Registry Number: 4176581 EC番号: 254-237-1 PubChem CID: 97520
注文可能
GRADE & PURITY ≥97%
Synonyms
2-Fluorophenyl isothiocyanate | o-Fluorophenyl isothiocyanate
Storage
Store at 2-8°C,Argon charged,Desiccated
Shipped In
Wet ice
★
Size
USA
ドイツ (EU)*
Price
Qty
1g
I770252-1g
4 在庫あり
—
$9.90
5g
I770252-5g
3 在庫あり
—
$27.90
25g
I770252-25g
2 在庫あり
—
$115.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

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

🌡

Storage & shipping

Store at 2-8°C,Argon charged,Desiccated 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

2-Fluorophenyl isothiocyanate has been used in the synthesis of acylthiosemicarbazides.

Specifications

同義語
2-Fluorophenyl isothiocyanate | o-Fluorophenyl isothiocyanate
仕様と純度
≥97%
保管条件
Store at 2-8°C,Argon charged,Desiccated
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%
名前と識別子
パブケム・シド
カノニカル・スマイル
C1=CC=C(C(=C1)N=C=S)F
IUPAC Name
1-fluoro-2-isothiocyanatobenzene
InChIKey
OAGDRIUTLPDSMJ-UHFFFAOYSA-N
INCHI
1S/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
異性体SMILES
C1=CC=C(C(=C1)N=C=S)F
WGKドイツ
3
PubChem CID
97520
分子量
153.17
Beilstein
4176581
Reaxy-Rn
4176581

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 ParentFluorobenzenes
Alternative Parents Aryl fluorides  Isothiocyanates  Propargyl-type 1,3-dipolar organic compounds  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Fluorobenzene - Aryl halide - Aryl fluoride - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
説明This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms 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.

3 results found

Lot NumberCertificate Type日付商品
I2525567Certificate of AnalysisJul 23, 2025 I770252
I2525568Certificate of AnalysisJul 23, 2025 I770252
I2525569Certificate of AnalysisJul 23, 2025 I770252
化学的性質と物理的性質
屈折率1.6254
引火点(°F)206°F
引火点(°C)97℃
沸点(°C)104°C/8mmHg
分子量153.180 g/mol
XLogP33.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass153.005 Da
Monoisotopic Mass153.005 Da
Topological Polar Surface Area44.500 Ų
Heavy Atom Count10
Formal Charge0
Complexity154.000
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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