1,3-시클로헥산디카르복실산

1,3-Cyclohexanedicarboxylic acid

HCID 107205CAS 3971-31-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)C1CCCC(C(=O)O)C1
InChIKey
XBZSBBLNHFMTEB-UHFFFAOYSA-N
분자식
C8H12O4
평균 분자량
172.18 g/mol
단동위원소 질량
172.07355886

이름 및 식별자

우선 이름
1,3-Cyclohexanedicarboxylic acid
IUPAC
cyclohexane-1,3-dicarboxylic acid
현지명
1,3-시클로헥산디카르복실산
영어명
1,3-Cyclohexanedicarboxylic acid
분자식
C8H12O4
분자량
172.18

이름 및 동의어

1,3-Cyclohexanedicarboxylic acidcyclohexane-1,3-dicarboxylic acidUNII-8DAS52OH658DAS52OH65DTXSID70883923hexahydroisophthalic acidRefChem:72546DTXCID0010234033-CARBOXYCYCLOHEXANECARBOXYLIC ACID1,3-BENZENEDICARBOXYLIC ACID, HEXAHYDRO-1,3-CYCLOHEXANEDICARBOXYLIC ACID (CIS-AND TRANS-MIXTURE)629-360-2
이름 더 보기
1,3-시클로헥산디카르복실산Cyclohexane-1,3-dicarboxylicaciCyclohexan-1,3-dicarboxylic acid1,3-cyclohexanedicarboxylicacid,mixtureofA mixture of: cis-1,3-cyclohexanedicarboxylic acid1,3-Cyclohexanedicarboxylic acid (7CI, 8CI, 9CI, ACI)1,3-Cyclohexanedicarboxylic acid,mixture of cis and trans1,3-Cyclohexanedicarboxylic Acid (cis- and trans- mixture)
A MIXTURE OF: CIS-1,3-CYCLOHEXANEDICARBOXYLIC ACID; TRANS-1,3-CYCLOHEXANEDICARBOXYLICACIDXBZSBBLNHFMTEB-UHFFFAOYSA-N3971-31-1MFCD001344111,3-cyclohexanedicarboxylicSCHEMBL35888SCHEMBL5966217SCHEMBL21085116

데이터베이스 식별자

CAS
3971-31-1
PubChem CID
107205
DTXSID
DTXSID70883923
ChEBI
CHEBI:229982
EC Number
432-490-0、629-360-2
Nikkaji
J70.256K

물성

구조 계산 물성

XLogP
0.7
극성 표면적
74.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
12

물리화학적 성질

녹는점
132 · 132-141 °C(lit.)
끓는 점
332.4 · 332.4±25.0 °C(Predicted)
밀도
1.314 · 1.314±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
메탄올에 용해됨
물리적 상태
powder to crystal

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 40 reports by companies from 3 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

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

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4921

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (96.6%)

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

규제 정보

Regulatory Information · 2건

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

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4921

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29172090
risk_code
36/37/38-41
hazard_code
Xi
safety_code
26-37/39

화학 및 산업

용도 및 제조

General Manufacturing Information1,3-Cyclohexanedicarboxylic acid: ACTIVE

응용 분야

용도1,3-Cyclohexanedicarboxylic acid can be used in the synthesis of organic materials and liquid crystal materials.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

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