3-Iodobenzoic acid (HCID 12060)

개요

3-iodobenzoic acid is an iodobenzoic acid with a single iodo substituent placed at the 3-position.

이름 및 식별자

우선 이름: 3-Iodobenzoic acid
IUPAC: 3-iodobenzoic acid
영어명: 3-Iodobenzoic acid
분자식: C7H5IO2
분자량: 248.02

이름 및 동의어

3-IODOBENZOIC ACID618-51-9m-Iodobenzoic acidBenzoic acid, 3-iodo-Q4ZCP9G95XNSC-74693DTXSID6060682CHEBI:166852RefChem:502760DTXCID0043133210-555-2Benzoic acid, m-iodo-

이름 더 보기

3-IodobenzoicIodobenzoic aci3-iodo-benzoicacim-IodobenaoicacidM-IODOBENZIOC ACID3-lod-benzoic acidRARECHEM AL BO 06873-iodobenzonic acid

3-Iodo-benzoic acidMFCD00002496UNII-Q4ZCP9G95XNSC74693STR07725SB66453EN300-17391AB01333667-02

데이터베이스 식별자

CAS: 618-51-9
PubChem CID: 12060
DTXSID: DTXSID6060682
ChEMBL: CHEMBL67526
ChEBI: CHEBI:166852
UNII: Q4ZCP9G95X
EC Number: 210-555-2
Nikkaji: J96.173F

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 136

실험 및 물리화학적 성질

SpringerMaterials PropertiesCrystal structure

LogP3.0

물리화학적 성질

녹는점: 185 · 185-187 °C(lit.)
끓는 점: 337.2 · 337.2±25.0 °C(Predicted)
밀도: 2.217 · 2.2170 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 가루
산도 계수 (pKa): 3.8 · 3.8(at 25℃)
색상: 흰색에서 베이지색
수용성: 클로로포름과 메탄올에 용해됩니다. 물에 불용성.
BRN: 971088 · 971088
InChI: InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey: KVBWBCRPWVKFQT-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=CC(I)=C1
NIST: 3 · Benzoic acid, 3-iodo-(618-51-9)
EPA: 3 · Benzoic acid, 3-iodo- (618-51-9)

화학적 성질

white to beige powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Benzoic acid, 3-iodo-

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-37/39-26
위험 등급: IRRITANT, LIGHT SENSITIVE
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Metabolism/Metabolites3-Iodobenzoic acid has known human metabolites that include 3-Iodobenzoyl glyucuronide.

용도 및 제조

General Manufacturing InformationBenzoic acid, 3-iodo-: ACTIVE

응용 분야 · 3건

개요3-Iodobenzoic acid is added as UV absorbing background electrolyte in separation of uncharged cyclodextrins and their derivatives by capillary electrophoresis.3-Iodobenzoic acid was used in solid phase synthesis of γ-turn mimetic library.

용도3-Iodobenzoic acid is used in solid phase synthesis of γ-turn mimetic library. It is used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.

일반 설명3-Iodobenzoic acid is added as UV absorbing background electrolyte in separation of uncharged cyclodextrins and their derivatives by capillary electrophoresis.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

불러오는 중…

3-Iodobenzoic acid

기본 정보

개요