Methyl 4-iodosalicylate

HCID 11380407CAS 18179-39-0

기본 정보

표준 SMILES: COC(=O)c1ccc(I)cc1O
InChIKey: WUFUURSWOJROKY-UHFFFAOYSA-N
분자식: C8H7IO3
평균 분자량: 278.04 g/mol
단동위원소 질량: 277.94399208

이름 및 식별자

우선 이름: Methyl 4-iodosalicylate
IUPAC: methyl 2-hydroxy-4-iodobenzoate
영어명: Methyl 4-iodosalicylate
분자식: C8H7IO3
분자량: 278.04

이름 및 동의어

Methyl 4-iodosalicylateMethyl 2-hydroxy-4-iodobenzoate18179-39-0DTXSID00464143RefChem:816491DTXCID60414962605-947-9Benzoic acid, 2-hydroxy-4-iodo-, methyl esterMFCD06797864Methyl 2-hydroxy-4-iodo-benzoatemethyl-4-iodosalicylate4-Iodosalicylic Acid Methyl Ester

이름 더 보기

Methyl4-IodosilicylateMethyl4-Iodosalicylate>Methyl 4-iodosalicylate 97%Methyl 4-iodosalicylate, 5-Iodo-2-(methoxycarbonyl)phenolMethyl 2-Hydroxy-4-iodobenzoate 4-Iodosalicylic Acid Methyl Ester 2-Hydroxy-4-iodobenzoic Acid Methyl Ester

2-hydroxy-4-iodo-benzoic acid methyl ester2-Hydroxy-4-iodobenzoic Acid Methyl Estermethyl 4-iodo-2-hydroxybenzoateSY038931S12166methyl2-hydroxy-4-iodobenzoateSCHEMBL256715DTXSID004641

데이터베이스 식별자

CAS: 18179-39-0
PubChem CID: 11380407
DTXSID: DTXSID00464143
EC Number: 605-947-9
Nikkaji: J2.895.985K

물성

구조 계산 물성

XLogP: 3
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 69 · 69-73 °C
끓는 점: 309.7 · 309.7±32.0 °C(Predicted)
밀도: 1.88 · 1.880±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: powder to crystal
산도 계수 (pKa): 8.91 · 8.91±0.10(Predicted)
색상: 흰색에서 회색, 갈색까지
InChI: 1S/C8H7IO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,1H3
InChIKey: WUFUURSWOJROKY-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(I)cc1O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (87.2%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (87.2%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 2918290090
risk_code: 25
hazard_code: T
safety_code: 45
포장분류: III
F 고인화성물질: 8
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects