Benzoic acid, 2-iodo-, methyl ester (HCID 69132)

이름 및 식별자

우선 이름: Benzoic acid, 2-iodo-, methyl ester
IUPAC: methyl 2-iodobenzoate
현지명: 메틸2-요오도벤조에이트
영어명: Methyl 2-iodobenzoate
분자식: C8H7IO2
분자량: 262.04

이름 및 동의어

Methyl 2-iodobenzoate610-97-92-Iodobenzoic acid methyl esterMethyl o-iodobenzoateBenzoic acid, 2-iodo-, methyl esterBenzoic acid, o-iodo-, methyl esterHCW7KL2LZNEINECS 210-243-6NSC 34638NSC-34638AI3-11097DTXSID7060594

이름 더 보기

메틸2-요오도벤조에이트IBM2-Iodobenzoate2-Iodo Methyl Benzoatemethyl iodobenzoateMethy1O-Methyl iodideMethyl 2-iodobenzoRARECHEM AL BF 0562Methyl-2-iodbenzoat

RefChem:565656DTXCID6042941Benzoic acid, o-iodo-, methyl ester (8CI)210-243-6Methyl-2-iodobenzoateMFCD000163512-Iodo-Benzoic Acid Methyl EsterMETHYL2-IODOBENZOATE

데이터베이스 식별자

CAS: 610-97-9
PubChem CID: 69132
DTXSID: DTXSID7060594
UNII: HCW7KL2LZN
EC Number: 210-243-6
Nikkaji: J96.150G

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 147

실험 및 물리화학적 성질

Kovats Retention Index1439；1439

물리화학적 성질

녹는점: 64 °C · 64°C
끓는 점: 149 · 149-150 °C/10 mmHg (lit.)
밀도: 1.784 g/mL · 1.784 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.604(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 에 용해됨클로로포름, 아세트산에틸 (약간 용해됨), 메탄올
물리적 상태: 결정성 또는 색다른 분말
색상: 하얀색
수용성: 불용성
BRN: 2206859 · 2206859
안정성: 감광성
InChI: 1S/C8H7IO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
InChIKey: BXXLTVBTDZXPTN-UHFFFAOYSA-N
SMILES: COC(=O)c1ccccc1I
NIST: -2 · Methyl-2-iodobenzoate(610-97-9)
EPA: 2 · Benzoic acid, 2-iodo-, methyl ester (610-97-9)

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (98.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 85 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: No longer Valid Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24639

Hazard Classes and CategoriesSkin Irrit. 2 (98.8%)；Eye Irrit. 2A (98.8%)；STOT SE 3 (97.6%)

규제 정보

Regulatory InformationStatus: No longer Valid Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24639

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 2-iodo-, methyl ester: INACTIVE

응용 분야 · 2건

용도Methyl 2-iodobenzoate may be used in the preparation of:N-substituted 4-methylene-3,4-dihydro-1(2H)-isoquinolin-1-onesmethyl diphenylacetylene-2-carboxylatemethyl 2-heptynylphenylbenzoate(E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoic acid methyl ester4-(2-carbomethoxyphenyl)-3-(1-methylethoxy)cyclobut-3-ene-1,2-dione3-(2-carbomethoxyphenyl)-4-methylcyclobuten-3-ene-1,2-dione 2-(ethylene acetal)

일반 설명Methyl 2-iodobenzoate can be prepared from 2-iodobenzoic acid via esterification. It undergoes cobalt-catalyzed cyclization with aldehydes to form phthalide derivatives. The microbial dihydroxylation of methyl 2-iodobenzoate forms a nonracemic iodocyclohexene carboxylate intermediate. This intermediate forms the precursor for preparing kibdelone C.

상·하류 제품 정보

상류 원료

하류 제품

2-Methoxycarbonylphenylboronic acid 메틸비페닐-2-카르복실레이트 메틸4'-메틸비페닐-2-카르복실레이트 2-Iodobenzyl alcohol 2,2'-이미노디벤조산 [R-(E)]-alpha-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol 2-BroMo-5,7-dihydro-7,7-diMethyl-5-phenyl-indeno[2,1-b]carbazole 메틸2-(트리플루오로메틸)벤조에이트 Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

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]

衢州润东化工有限公司0570-8789886 18892685668 · [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]

연결된 노트

불러오는 중…

메틸2-요오도벤조에이트

기본 정보