기본 정보
- 표준 SMILES
O=C(O)c1ccc2cc(C(=O)O)ccc2c1- InChIKey
RXOHFPCZGPKIRD-UHFFFAOYSA-N- 분자식
- C12H8O4
- 평균 분자량
- 216.19 g/mol
- 단동위원소 질량
- 216.04225873
이름 및 식별자
- 우선 이름
- 2,6-Naphthalenedicarboxylic acid
- IUPAC
- naphthalene-2,6-dicarboxylic acid
- 현지명
- 2,6-나프탈렌디카본산
- 영어명
- 2,6-NAPHTHALENEDICARBOXYLIC ACID
- 분자식
- C12H8O4
- 분자량
- 216.19
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1141-38-4- PubChem CID
- 14357
- DTXSID
DTXSID5029211- ChEMBL
CHEMBL1205452- ChEBI
CHEBI:44460- UNII
- K3C4DYZ29O
- EC Number
- 214-527-0
- Nikkaji
- J40.510H
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 269
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 300 °C · >300 °C (lit.)
- 끓는 점
- 316.6 °C · 316.6°C (rough estimate)
- 밀도
- 1.5 · 1.5
- 굴절률
- 1.708 · 1.7080 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- very faint turbidity in hot Pyridine
- 산도 계수 (pKa)
- 3.69 · 3.69±0.30(Predicted)
- 물리적 상태
- 가루
- 색상
- 하얀색
- 수용성
- 3 μg/L · 3μg/L at 20℃
- BRN
- 2051257 · 2051257
- InChI
- InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)
- InChIKey
- RXOHFPCZGPKIRD-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=C(C(O)=O)C=C2)=CC=C1C(O)=O
- LogP
- 2.22 · 2.22
- EPA
- 2 · 2,6-Naphthalenedicarboxylic acid (1141-38-4)
화학적 성질
BEIGE POWDER
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 83.3% (15 of 18) of all reports.
Warning
H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 15 of 18 reports by companies.;There are 2 notifications provided by 3 of 18 reports by companies with hazard statement code(s).;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
Chemical: 2,6-Naphthalenedicarboxylic acid;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
2,6-Naphthalenedicarboxylic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,6-Naphthalenedicarboxylic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 12-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/26701
2,6-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.
규제 정보
Regulatory Information
Chemical: 2,6-Naphthalenedicarboxylic acid;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
2,6-Naphthalenedicarboxylic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,6-Naphthalenedicarboxylic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 12-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/26701
2,6-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.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29173990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-25549
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information
Plastics Material and Resin Manufacturing
2,6-Naphthalenedicarboxylic acid: ACTIVE
응용 분야
용도2,6-naphthalenedicarboxylic acid is an important product for the manufacture of high strength and excellent dyeing properties of polyester fibers and F class insulation material, is an important monomer performance PEN, PBN, liquid crystal polymer (LCP) and polyurethane resin pharmaceutical and fine chemicals raw material.
일반 설명This product has been enhanced for energy efficiency.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
불러오는 중…