1,4-나프탈렌디카본산

1,4-Naphthalenedicarboxylic acid

HCID 69065

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 605-70-9
표준 SMILES: O=C(O)c1ccc(C(=O)O)c2ccccc12
InChIKey: ABMFBCRYHDZLRD-UHFFFAOYSA-N
분자식: C12H8O4
평균 분자량: 216.19 g/mol
단동위원소 질량: 216.04225874

이름 및 식별자

우선 이름: 1,4-Naphthalenedicarboxylic acid
IUPAC: naphthalene-1,4-dicarboxylic acid
현지명: 1,4-나프탈렌디카본산
영어명: 1,4-Naphthalenedicarboxylic acid
분자식: C12H8O4
분자량: 216.19

이름 및 동의어

1,4-Naphthalenedicarboxylic acid605-70-984HFA3F9GPEINECS 210-094-7DTXSID2060545Naphthalene-1,4-dicarboxlic acidRefChem:73363DTXCID5042821210-094-7ABMFBCRYHDZLRD-UHFFFAOYSA-NNaphthalene-1,4-dicarboxylic acidMFCD00014312

이름 더 보기

1,4-나프탈렌디카본산1,4-NAPHTHALIC ACIDDK7269DK74601,4-NaphthaL1,4-naphthalateAdiphenine Impurity 10Naphthalin-1,4-dicarbonsure1, 4 - naphthalene diforMate4-Naphthalenedicarboxylic acid

1,4-NaphthalicacidUNII-84HFA3F9GPnaphthaline-1,4-dicarboxylic acidAKOS015856051CS-W0148561,4-Naphthalenedicarboxylic acid, 94%AC-11690AS-10797

데이터베이스 식별자

CAS: 605-70-9
PubChem CID: 69065
DTXSID: DTXSID2060545
UNII: 84HFA3F9GP
EC Number: 210-094-7
Nikkaji: J94.932I

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 269

물리화학적 성질

녹는점: 300 °C · >300 °C (lit.)
끓는 점: 490.2 · 490.2±28.0 °C(Predicted)
밀도: 1.54 g/cm3 · 1.54 g/cm3
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 2.71 · 2.71±0.10(Predicted)
색상: 흰색에서 노란색, 주황색으로
수용성: 물에 불용성.
BRN: 2051255 · 2051255
InChI: InChI=1S/C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)(H,15,16)
InChIKey: ABMFBCRYHDZLRD-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=C2C(C=CC=C2)=C(C(O)=O)C=C1
EPA: 1 · 1,4-Naphthalenedicarboxylic acid (605-70-9)

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 6.1% (3 of 49) of reports.

Warning

H315 (93.9%): 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 28-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23950

1,4-Naphthalenedicarboxylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (93.9%)

안전 데이터

wgk: 1
tsca: TSCA listed
HS 번호: 29173990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1,4-Naphthalenedicarboxylic acid: ACTIVE

응용 분야 · 3건

용도염료 중간체, 플라스틱 가공 에이즈의 효과. 형광 증 백제, 염료 중간체 등의 생산에 사용

개요1,4-Naphthalenedicarboxylic acid is an important raw material for the production of polyester and other high-performance polymers. These polymers have excellent mechanical properties and thermal stability and are widely used in clothing materials, high-strength container materials and other fields.

용도It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.