2,3-Dimethoxybenzoic acid

HCID 15204
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기본 정보

CAS
1521-38-6
표준 SMILES
COc1cccc(C(=O)O)c1OC
InChIKey
FODBVCSYJKNBLO-UHFFFAOYSA-N
분자식
C9H10O4
평균 분자량
182.17 g/mol
단동위원소 질량
182.0579088

이름 및 식별자

우선 이름
2,3-Dimethoxybenzoic acid
IUPAC
2,3-dimethoxybenzoic acid
영어명
2,3-Dimethoxybenzoic acid
분자식
C9H10O4
분자량
182.17

이름 및 동의어

2,3-DIMETHOXYBENZOIC ACID1521-38-6o-Veratric acidBenzoic acid, 2,3-dimethoxy-EINECS 216-188-4CQT4BG868CNSC 406133BRN 2210858AI3-01432NSC-406133DTXSID201649564-10-00-01415 (Beilstein Handbook Reference)
이름 더 보기
AKOS 233-292-VERATRIC ACIDRARECHEM AL BO 00262,3-Dimethoxybenzoic3-DiMethoxybenzoic acid2,3-dimethoxy-benzoicaciDIMETHOXYBENZOIC ACID,2,3-
o-Veratric acid (6CI,7CI,8CI)RefChem:81801DTXCID5087447FODBVCSYJKNBLO-UHFFFAOYSA-NInChI=1/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11MFCD000024322,3-dimethoxy-benzoic acidSCHEMBL152563

데이터베이스 식별자

CAS
1521-38-6
PubChem CID
15204
DTXSID
DTXSID20164956
ChEMBL
CHEMBL450128
UNII
CQT4BG868C
EC Number
216-188-4
Nikkaji
J148.046D

물성

구조 계산 물성

XLogP
1.7
극성 표면적
55.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
13

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point
LogP1.94

물리화학적 성질

녹는점
120 · 120-122 °C (lit.)
끓는 점
275.56 °C · 275.56°C (rough estimate)
밀도
1.2481 · 1.2481 (rough estimate)
굴절률
1.45 · 1.4500 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
5.31 g/l · 5.310g/l 약간 용해됨

화학적 성질

LIGHT BEIGE FINE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.

유해성 정보

Regulatory Information · 2건

Chemical: Benzoic acid, 2,3-dimethoxy-

Benzoic acid, 2,3-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
rtecs
DG8598700
독성
mouse,LD50,intraperitoneal,> 800mg/kg (800mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.
HS 번호
29189090
risk_code
36/37/38
hazard_code
Xi

화학 및 산업

응용 분야 · 1건

용도2,3-Dimethoxybenzoic acid is widely used as an intermediate in organic synthesis, its methoxy-substituted aromatic ring enables selective functionalization, making it useful in the preparation of more complex aromatic and heterocyclic derivatives. In addition, it is applied in material science research for the development of functionalized polymers and organic electronic materials, where its structural and electronic properties can influence conductivity, stability, and overall material performance.

상·하류 제품 정보

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]

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