2-Naphthoic acid (HCID 7123)

이름 및 식별자

우선 이름: 2-Naphthoic acid
IUPAC: naphthalene-2-carboxylic acid
현지명: 2-나프토에산
영어명: 2-Naphthoic acid
분자식: C11H8O2
분자량: 172.18

이름 및 동의어

2-Naphthoic acid93-09-42-Naphthalenecarboxylic acidNAPHTHALENE-2-CARBOXYLIC ACIDIsonaphthoic acidbeta-Naphthoic acidQLG01V0W2LNSC-59901DTXSID1059078CHEBI:36106RefChem:477100DTXCID2048828

이름 더 보기

2-나프토산2-나프토에산2-나프토산2-naphthoicnaphthalene-2-carboxylate0/4/932-maythicacid2-phthoic acid2-NAPHTOIC ACIDB-NAPHTHOIC ACID3-Naphthoic acid

202-217-82-Carboxynaphthalene2-Maythic acidMFCD00004101.beta.-Naphthoic acidNaphthalene-beta-carboxylic acidEINECS 202-217-8NSC 59901

데이터베이스 식별자

CAS: 93-09-4
PubChem CID: 7123
DTXSID: DTXSID1059078
ChEMBL: CHEMBL114648
ChEBI: CHEBI:36106
UNII: QLG01V0W2L
EC Number: 202-217-8
Nikkaji: J10.599F

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 200

실험 및 물리화학적 성질

Flash Point205 °C

Physical DescriptionCrystals from 95% alcohol; [Merck Index] Colorless solid, almost insoluble in water; [MSDSonline]

Dissociation Constants4.18

Kovats Retention Index289.55

물리화학적 성질

녹는점: 185 · 185-187 °C(lit.)
끓는 점: 300 °C · 300 °C
밀도: 1.08 · 1.08
굴절률: 1.552 · 1.5520 (estimate)
인화점: 205 °C · 205 °C
저장 조건: Sealed in dry,Room Temperature
용해도: 알코올: 용해 가능
물리적 상태: 가루
산도 계수 (pKa): 4.17 · 4.17(at 25℃)
색상: 흰색에서 베이지색
수소이온지수(pH): 4.5 · 4.5 (H2O, 20℃)
수용성: 0.5 g/L · <0.5g/L(20℃)
Merck: 14 · 14,6382
BRN: 972039 · 972039
InChI: 1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
InChIKey: UOBYKYZJUGYBDK-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc2ccccc2c1
NIST: 2 · 2-Naphthalenecarboxylic acid(93-09-4)
EPA: 2 · 2-Naphthalenecarboxylic acid (93-09-4)

화학적 성질

Colorless solid

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 (98%): 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 49 reports by companies from 7 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

Regulatory Information · 2건

Chemical: 2-Naphthalenecarboxylic acid

2-Naphthalenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryModerate skin and mucous membrane irritant; [Merck Index] See 3-Hydroxy-2-naphthalenecarboxylic acid.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (98%)

규제 정보

Regulatory Information · 2건

Chemical: 2-Naphthalenecarboxylic acid

2-Naphthalenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: QL1050000
HS 번호: 29163900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25-36/373/39
기존화학 물질: KE-25702
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Naphthalenecarboxylic acid: ACTIVE

응용 분야 · 3건

용도유기 합성 및 식물 생장 조절제의 중간체로 사용됩니다. 식물 생장 조절제로 사용 식물 성장 자극제로 쓰이며 유기농 제품에도 사용됩니다.

용도2-Naphthoic acid is an unprotected acid undergoes lithiation, e.g. with s-BuLi, by stereospecific 1,4-addition, providing a facile route to 1,2,2-trisubstituted 1,2-dihydronaphthalenes. It is also used as an intermediate in organic synthesis. The fluorescence spectra and electronic absorption of 2-naphthoic acid was studied.

일반 설명2-Naphthoic acid (NPA) is a noncompetitive N-methyl-D-aspartate (NMDA) receptor inhibitor. The fluorescence spectra and electronic absorption of 2-naphthoic acid was studied.