메틸4-아이오도-3-메틸벤조에이트

Methyl 4-Iodo-3-methylbenzoate

HCID 231757

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5471-81-8
표준 SMILES: COC(=O)c1ccc(I)c(C)c1
InChIKey: HCSGWQGKCVQIRM-UHFFFAOYSA-N
분자식: C9H9IO2
평균 분자량: 276.07 g/mol
단동위원소 질량: 275.96472753

이름 및 식별자

우선 이름: Methyl 4-Iodo-3-methylbenzoate
IUPAC: methyl 4-iodo-3-methylbenzoate
현지명: 메틸4-아이오도-3-메틸벤조에이트
영어명: Methyl 4-iodo-3-methylbenzoate
분자식: C9H9IO2
분자량: 276.07

이름 및 동의어

Methyl 4-Iodo-3-methylbenzoateDTXSID10282850RefChem:816486DTXCID60234001676-595-15471-81-84-Iodo-3-methylbenzoic Acid Methyl Ester4-Iodo-3-methylbenzoic acid methylMFCD02683863methyl 3-methyl-4-iodobenzoate4-Iodo-m-toluic acid, methyl esterAKOS015890338

이름 더 보기

메틸4-아이오도-3-메틸벤조에이트Methyl4-Iodo-3-methylbenzoate>4-IODO-M-TOLUIC ACID METHYL ESTER3-methyl-4-iodobenzoic acid methyl ester4-iodo-3-methyl-Benzoic acid methyl ester (9CI ACI)Benzoic acid, 4-iodo-3-methyl-, methyl ester (9CI, ACI)

4-iodo-3-methyl-benzoic acid methyl esterW13078methyl 4-iodo-3-methyl-benzoateMethyl 4-Iodo-m-toluatemethyl 3methyl-4-iodobenzoateBenzoic acid, 4-iodo-3-methyl-, methyl ester? Methyl 4-Iodo-3-methylbenzoate4-Iodo-m-toluic Acid Methyl Ester

데이터베이스 식별자

CAS: 5471-81-8
PubChem CID: 231757
DTXSID: DTXSID10282850
EC Number: 676-595-1
Nikkaji: J1.765.652J

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 170

물리화학적 성질

녹는점: 59 · 59-62°C
끓는 점: 106 °C · 106 °C / 4mmHg
밀도: 1.666 · 1.666±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 약간 용해됩니다.
물리적 상태: powder to crystal
색상: White to Light yellow to Light orange

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.