Benzaldehyde, 4-hydroxy-3-iodo-5-methoxy- (HCID 79499)

이름 및 식별자

우선 이름: Benzaldehyde, 4-hydroxy-3-iodo-5-methoxy-
IUPAC: 4-hydroxy-3-iodo-5-methoxybenzaldehyde
영어명: 5-Iodovanillin
분자식: C8H7IO3
분자량: 278.04

이름 및 동의어

5-Iodovanillin4-Hydroxy-3-iodo-5-methoxybenzaldehyde5 IodovanillinBenzaldehyde, 4-hydroxy-3-iodo-5-methoxy-EINECS 226-617-7NSC 16678DTXSID3063885FBBCSYADXYILEH-UHFFFAOYSA-RefChem:561377DTXCID0041694226-617-7InChI=1/C8H7IO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3

이름 더 보기

AKOS B0041795-IodovanilinIodovanillin,5-AKOS BBS-000046405-Iodovanillin>5-Iodovanillin,97%5-Iodovanillin 97%5-IODOVANILLIC ACID

5438-36-8MFCD000069413-methoxy-4-hydroxy-5-iodobenzaldehyde5-iodovanilline5-iodo vaniline4-Hydroxy-3-iodo-5-methoxybenzaldehyde; 3-Iodo-4-hydroxy-5-methoxybenzaldehyde; 3-Iodo-5-methoxy-4-hydroxybenzaldehyde; 4-Hydroxy-5-iodo-3-methoxybenzaldehyde; 5-Iodo-3-methoxy-4-hydroxybenzaldehyde; NSC 16678NSC166783-iodo-4-hydroxy-5-methoxybenzaldehyde

데이터베이스 식별자

CAS: 5438-36-8
PubChem CID: 79499
DTXSID: DTXSID3063885
EC Number: 226-617-7
Nikkaji: J218.024C

물성

구조 계산 물성

XLogP: 1.7
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: 162

물리화학적 성질

녹는점: 183 · 183-185 °C (lit.)
끓는 점: 304 ℃ · 304℃
밀도: 1.909 · 1.909
인화점: 138 ℃ · 138℃
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 미세 결정성 분말
산도 계수 (pKa): 6.34 · 6.34±0.23(Predicted)
색상: 연노랑
BRN: 2049762 · 2049762
InChI: InChI=1S/C8H7IO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChIKey: FBBCSYADXYILEH-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(OC)=C(O)C(I)=C1
EPA: 4 · Benzaldehyde, 4-hydroxy-3-iodo-5-methoxy- (5438-36-8)

화학적 성질

light yellow fine crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): 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 46 reports by companies from 6 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 38220090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzaldehyde, 4-hydroxy-3-iodo-5-methoxy-: INACTIVE

응용 분야

용도5-Lodovanillin was used in the characterization of 5-Iodoacetovanillone. 5-Iodovanillin has also been used in the synthesis of platelet activating factor antagonist L-659,989.