3-METHOXY-2-NAPHTHOIC산

3-Methoxy-2-naphthoic acid

HCID 70161CAS 883-62-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc2ccccc2cc1C(=O)O
InChIKey: RTBQQRFTCVDODF-UHFFFAOYSA-N
분자식: C12H10O3
평균 분자량: 202.21 g/mol
단동위원소 질량: 202.06299418

이름 및 식별자

우선 이름: 3-Methoxy-2-naphthoic acid
IUPAC: 3-methoxynaphthalene-2-carboxylic acid
현지명: 3-METHOXY-2-NAPHTHOIC산
영어명: 3-Methoxy-2-naphthoic acid
분자식: C12H10O3
분자량: 202.21

이름 및 동의어

3-Methoxy-2-naphthoic acid2-Naphthalenecarboxylic acid, 3-methoxy-2-Methoxy-3-naphthoic acidEINECS 212-932-7NSC 36216NSC-362163-methoxy-2-naphthalenecarboxylic acidPK966S8655DTXSID9061259UNII-PK966S8655RefChem:94570DTXCID0048634

이름 더 보기

3-METHOXY-2-NAPHTHOIC산3-Methoxy-2-naphthoicAcid>2-Naphthoic acid, 3-methoxy-3-Methoxy-2-naphthoic acid 98%3-methoxy-2-naphthalenecarboxylicaci3-Methoxy-naphthalen-2-carboxylic acid

RTBQQRFTCVDODF-UHFFFAOYSA-N883-62-53-methoxynaphthalene-2-carboxylic acid2-Naphthoic acid, 3-methoxy-MFCD00094168NSC362163-Methoxy-naphthalene-2-carboxylic acidOprea1_566268

데이터베이스 식별자

CAS: 883-62-5
PubChem CID: 70161
DTXSID: DTXSID9061259
ChEMBL: CHEMBL1565790
UNII: PK966S8655
EC Number: 212-932-7
Nikkaji: J195.179C

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 239

실험 및 물리화학적 성질

SpringerMaterials PropertiesAngular frequency

물리화학적 성질

녹는점: 133 · 133-136 °C (lit.)
끓는 점: 358.8 · 358.8±17.0 °C(Predicted)
밀도: 1.263 · 1.263±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 4.09 · 4.09±0.30(Predicted)
색상: Light orange to Yellow to Green
InChI: 1S/C12H10O3/c1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey: RTBQQRFTCVDODF-UHFFFAOYSA-N
SMILES: COc1cc2ccccc2cc1C(O)=O
EPA: 2 · 2-Naphthalenecarboxylic acid, 3-methoxy- (883-62-5)

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2918.99.4700
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Naphthalenecarboxylic acid, 3-methoxy-: INACTIVE

응용 분야 · 2건

용도3-Methoxy-2-naphthoic acid may be used in the synthesis of N-[p-N,N-dimethylanilino)-3-methoxy-2-naphtho]hydroxamic acid (DAMNHA).

일반 설명3-Methoxy-2-naphthoic acid is a naphthoic acid derivative. 3-Methoxy-2-naphthoic acid can be prepared from 3-hydroxy-2-naphthoic acid, via methylation. It undergoes reduction under the following reaction conditions:in the presence of Li and NH4Cl to afford 1,2,3,4-tetrahydro-2-naphthoic acidby using Li, NH4Cl and anhydrous FeCl3 to afford 3-methoxy-1, 2-dihydro-2-naphthoic acidin anhydrous ether, liquid ammonia, lithium wire and anhydrous ethanol to afford 1,2,3,4-tetrahydro-2-naphthoic acid