1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-

HCID 77672CAS 4053-08-1

기본 정보

표준 SMILES: O=C1OC(=O)c2ccc(Cl)c3cccc1c23
InChIKey: UJEUBSWHCGDJQU-UHFFFAOYSA-N
분자식: C12H5ClO3
평균 분자량: 232.62 g/mol
단동위원소 질량: 231.9927217

이름 및 식별자

우선 이름: 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-
IUPAC: 8-chloro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
영어명: 4-Chloro-1,8-naphthalic anhydride
분자식: C12H5ClO3
분자량: 232.62

이름 및 동의어

4-Chloro-1,8-naphthalic anhydride4-Chloronapthalic anhydride4-Chloronaphthalene-1,8-dicarboxylic anhydrideEINECS 223-760-71H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 6-chloro-DTXSID10632796-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-6-Chloro-1H,3H-naphtho[1,8-cd]pyran-1,3-dioneRefChem:236815DTXCID5039775Naphthalic anhydride, 4-chloro-(7CI,8CI)

이름 더 보기

4-chloronaphthalicanhydride4-chloro-naphthalicanhydrid4-CHLORO-1,8-NAPHTHALENEDICARBOXYLIC4-CHLORO-1 8-NAPHTHALIC ANHYDRIDE TECH4-Chloro-1,8-naphthalic anhydride, 94%,6-CHLORONAPHTHO[1,8,8A-C,D]PYRAN-1,3-DIONE

223-760-7UJEUBSWHCGDJQU-UHFFFAOYSA-N4053-08-16-Chlorobenzo[de]isochromene-1,3-dione4-Chloronaphthalic anhydride6-Chloro-1H,3H-benzo[de]isochromene-1,3-dione8-chloro-3-oxatricyclo[7.3.1.0]trideca-1(13),5,7,9,11-pentaene-2,4-dioneMFCD00006928

데이터베이스 식별자

CAS: 4053-08-1
PubChem CID: 77672
DTXSID: DTXSID1063279
ChEMBL: CHEMBL2323370
UNII: 3TK8N66ETU
EC Number: 223-760-7
Nikkaji: J40.511F

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 16
형식 전하: 0
복잡도: 341

물리화학적 성질

녹는점: 202 · 202-206 °C (dec.)
끓는 점: 332.56 °C · 332.56°C (rough estimate)
밀도: 1.3447 · 1.3447 (rough estimate)
굴절률: 1.453 · 1.4530 (estimate)
저장 조건: 2 · 2-8°C
용해도: DMSO(소량으로 용해), 메탄올(약간 용해됨, 초음파 처리)
물리적 상태: 고체
색상: 황백색부터 연한 갈색까지
수용성: 물에서 가수분해됩니다.
BRN: 178072 · 178072
InChI: InChI=1S/C12H5ClO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H
InChIKey: UJEUBSWHCGDJQU-UHFFFAOYSA-N
SMILES: C1(=O)OC(=O)C2=CC=C(Cl)C3=C2C1=CC=C3
NIST: 4 · 4-Chloro-1,8-naphthalic anhydride(4053-08-1)
EPA: 4 · 4-Chloronapthalic anhydride (4053-08-1)

화학적 성질

beige to brown powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H315 (80%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 22-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32820

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: QL6127295
HS 번호: 29322985
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25

화학 및 산업

용도 및 제조

General Manufacturing Information1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-: ACTIVE

응용 분야

용도4-Chloro-1,8-naphthalic anhydride is used in dyes and pigments. It is also used in agrochemical, pharmaceutical.

상·하류 제품 정보

상류 원료

하류 제품

3-하이드록시-1,8-나프탈산무수물 1H-Benz[de]isoquinoline-2(3H)-acetic acid, 6-chloro-1,3-dioxo-, ethyl ester 4-클로로나프탈이미드

공급사50 곳

湖北鑫立恒化工有限公司13164644252

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

연결된 노트

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