CAS 143809-21-6 5-Methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid (HCID 10702959)

기본 정보

CAS: 143809-21-6
표준 SMILES: Cc1c(C(=O)O)ccc2c1OCCO2
InChIKey: YBPIZYYGBWSBKO-UHFFFAOYSA-N
분자식: C10H10O4
평균 분자량: 194.18 g/mol
단동위원소 질량: 194.0579088

이름 및 식별자

우선 이름: 5-Methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
IUPAC: 5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
영어명: 5-Methyl-2,3-Dihydrobenzo[B][1,4]Dioxine-6-Carboxylic Acid(WX612184)
분자식: C10H10O4
분자량: 194.18

이름 및 동의어

143809-21-65-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acidRefChem:536932966-190-05-Methyl-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acidMFCD206404351,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-5-methyl-SCHEMBL2427488YBPIZYYGBWSBKO-UHFFFAOYSA-NTFA80921AKOS023770407AS-54806

이름 더 보기

5-Methyl-2,3-Dihydrobenzo[B][1,4]Dioxine-6-Carboxylic Acid(WX612184)

SY252851DB-1487445-methyl-1,4-benzodioxan-6-carboxylic acidCS-01534035-methyl-1, 4-benzodioxan-6-carboxylic acid5-methyl-benzo(1,4)dioxan-6-carboxylic acidW10224F505307

데이터베이스 식별자

CAS: 143809-21-6
PubChem CID: 10702959
EC Number: 966-190-0

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 228

물리화학적 성질

끓는 점: 342.9 · 342.9±42.0 °C(Predicted)
밀도: 1.319 · 1.319±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.22 · 4.22±0.20(Predicted)

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 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.