4-FLUORO-2-아이오도벤조익산

4-Fluoro-2-iodobenzoic acid

HCID 12520164

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 56096-89-0
표준 SMILES: O=C(O)c1ccc(F)cc1I
InChIKey: DUKFTVLJAXWGPI-UHFFFAOYSA-N
분자식: C7H4FIO2
평균 분자량: 266.01 g/mol
단동위원소 질량: 265.92401

이름 및 식별자

우선 이름: 4-Fluoro-2-iodobenzoic acid
IUPAC: 4-fluoro-2-iodobenzoic acid
현지명: 4-FLUORO-2-아이오도벤조익산
영어명: 4-FLUORO-2-IODOBENZOIC ACID
분자식: C7H4FIO2
분자량: 266.01

이름 및 동의어

4-fluoro-2-iodobenzoic acid56096-89-0DTXSID70501170RefChem:292772DTXCID30451980624-102-52-Iodo-4-fluorobenzoic acidMFCD041082784-Fluoro-2-iodo-benzoic acid4-Fluoro-2-IodobenzoicacidBenzoic acid, 4-fluoroiodo-Benzoic acid,4-fluoro-2-iodo-

이름 더 보기

4-FLUORO-2-아이오도벤조익산BUTTPARK 83\07-334-Fluoro-2-iodobenzoicacid99%4-Fluoro-2-iodobenzoic acid 99%4-FLUORO-2-IODOBENZOIC ACID ISO 9001：2015 REACH

SCHEMBL1588995DUKFTVLJAXWGPI-UHFFFAOYSA-N4-Fluoro-2-iodobenzoic acid, 97%CK1080SBB063560AKOS000140853AC-3965CS-W014051

데이터베이스 식별자

CAS: 56096-89-0
PubChem CID: 12520164
DTXSID: DTXSID70501170
EC Number: 624-102-5

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 143 · 143-147 °C
끓는 점: 309.4 · 309.4±27.0 °C(Predicted)
밀도: 2.074 · 2.074±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
용해도: 아세트산에틸 (약간 용해됨), 메탄올 (약간 용해됨)
산도 계수 (pKa): 2.8 · 2.80±0.10(Predicted)
물리적 상태: 고체
색상: 하얀색
InChI: 1S/C7H4FIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey: DUKFTVLJAXWGPI-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(F)cc1I

화학적 성질

Off-white crystalline

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 42 reports by companies from 5 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

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 29163990
risk_code: 25-36/37/38
hazard_code: Xi,T
safety_code: 26-36/37-45
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects