Bromopropylate solution - 100μg/ml,u=2%,in ethyl acetate , CAS No.18181-80-1

CAS: 18181-80-1 Cat. No.: B114885 분자식: C17H16Br2O3 분자량: 428.12 EC 번호: 242-070-7
주문 가능
GRADE & PURITY 100μg/ml,u=2%,in ethyl acetate
Synonyms
4-Bromo-alpha-(4-bromophenyl)-alpha-hydroxybenzeneacetic acid 1-methylethyl ester Isopropyl 4,4'-dibromobenzilate Phenisobromolate
Storage
Protected from light,Room temperature
Shipped In
Normal
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Size
USA
독일 (EU)*
Price
Qty
1ml
B114885-1ml
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US$23.90
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Why this grade

100μg/ml,u=2%,in ethyl acetate for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

동의어
4-Bromo-alpha-(4-bromophenyl)-alpha-hydroxybenzeneacetic acid 1-methylethyl ester Isopropyl 4,4'-dibromobenzilate Phenisobromolate
사양 및 순도
100μg/ml,u=2%,in ethyl acetate
보관 조건
Protected from light,Room temperature
배송
Normal
이름과 식별자
Pubchem Sid528773048
정식 스마일CC(C)OC(=O)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)O
IUPAC Namepropan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
InChIKeyFOANIXZHAMJWOI-UHFFFAOYSA-N
INCHI1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
이성체 SMILES CC(C)OC(=O)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)O
분자량 428.12
Reaxy-Rn 2152560
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2152560&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
분류Benzene and substituted derivatives
SubclassDiphenylmethanes
Intermediate Tree Nodes Not available
Direct ParentDiphenylmethanes
Alternative Parents Bromobenzenes  Aryl bromides  Tertiary alcohols  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organobromides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Aromatic alcohols  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Diphenylmethane - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Tertiary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Aromatic alcohol - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)
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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
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관련 대상(비인간)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

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1 results found

Lot NumberCertificate Type날짜항목
G1825009Certificate of AnalysisSep 03, 2024 B114885
화학 및 물리적 특성
감도Light sensitive.
녹는점(°C)77°C
분자량428.100 g/mol
XLogP34.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass427.945 Da
Monoisotopic Mass425.947 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count22
Formal Charge0
Complexity348.000
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
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