2-METHOXY-1-NAPHTHOIC산

2-Methoxy-1-naphthoic acid

HCID 70356CAS 947-62-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc2ccccc2c1C(=O)O
InChIKey: OSTYZAHQVPMQHI-UHFFFAOYSA-N
분자식: C12H10O3
평균 분자량: 202.21 g/mol
단동위원소 질량: 202.06299418

이름 및 식별자

우선 이름: 2-Methoxy-1-naphthoic acid
IUPAC: 2-methoxynaphthalene-1-carboxylic acid
현지명: 2-METHOXY-1-NAPHTHOIC산
영어명: 2-Methoxy-1-naphthoic acid
분자식: C12H10O3
분자량: 202.21

이름 및 동의어

2-Methoxy-1-naphthoic acid947-62-6EINECS 213-429-52-methoxy-1-naphthalenecarboxylic acidDTXSID40241571RefChem:474143DTXCID70164062213-429-52-methoxynaphthalene-1-carboxylic acidMFCD000215322-Methoxy-1-naphthoic acid, 98%2-Methoxynaphthoic acid

이름 더 보기

2-METHOXY-1-NAPHTHOIC산RMA-335AKOS 243-07RARECHEM AL BO 10952-Methoxy-1-naphthoicAcid>2-Methoxy-1-naphthoic acid, 98%,

1-Naphthoic acid, 2-methoxy-Methoxynaphthoesaure1-Naphthalenecarboxylic acid, 2-methoxy-2-Methoxy napthoic acid2-methoxy-1-naphtoic acidSCHEMBL9798422-Methoxy-1-naphthoic acid #2-METHOXY-1-NAPHTHOICACID

데이터베이스 식별자

CAS: 947-62-6
PubChem CID: 70356
DTXSID: DTXSID40241571
EC Number: 213-429-5
Nikkaji: J298.552G

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

물리화학적 성질

녹는점: 177 · 177-180 °C (lit.)
끓는 점: 390.2 · 390.2±15.0 °C(Predicted)
밀도: 1.263 · 1.263±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 3.11 · 3.11±0.10(Predicted)
색상: White to Light yellow to Light orange
InChI: 1S/C12H10O3/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey: OSTYZAHQVPMQHI-UHFFFAOYSA-N
SMILES: COc1ccc2ccccc2c1C(O)=O

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 40 reports by companies from 3 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
HS 번호: 2918.29.7500
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2-Methoxy-1-naphthoic acid may be used in the synthesis of chiral (methoxynaphthyl)oxazoline.

일반 설명2-Methoxy-1-naphthoic acid is the 3-methoxy derivative of 1-napthoic acid. It can be prepared from a Grignard reagent derived from 1-bromo-2-methoxynaphthalene. 2-Methoxy-1-naphthoic acid undergoes Birch reduction to afford 2-methoxy-1,4,5,8-tetrahydro-1-naphthoic acid.