1,3-シクロヘキサンジカルボン酸 (cis-, trans-混合物)

1,3-Cyclohexanedicarboxylic acid

HCID 107205
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基本情報

CAS
3971-31-1
標準SMILES
O=C(O)C1CCCC(C(=O)O)C1
InChIKey
XBZSBBLNHFMTEB-UHFFFAOYSA-N
分子式
C8H12O4
平均分子量
172.18 g/mol
単同位体質量
172.07355886

名称と識別子

優先名称
1,3-Cyclohexanedicarboxylic acid
IUPAC
cyclohexane-1,3-dicarboxylic acid
現地名
1,3-シクロヘキサンジカルボン酸 (cis-, trans-混合物)
英語名
1,3-Cyclohexanedicarboxylic acid
分子式
C8H12O4
分子量
172.18

名称と別名

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
名称をさらに表示
1,3-シクロヘキサンジカルボン酸 (cis-, trans-混合物)シクロヘキサン-1,3-ジカルボン酸1,3-シクロヘキサンジカルボン酸1,3-シクロヘキサンジカルボン酸, CIS体およびTRANS体混合物Cyclohexane-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

データベース識別子

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

物性

構造計算による物性

XLogP
0.7
極性表面積
74.6 Ų
水素結合供与体数
2
水素結合受容体数
4
回転可能結合数
2
重原子数
12

物理化学的性質

融点
132 · 132-141 °C(lit.)
沸点
332.4 · 332.4±25.0 °C(Predicted)
比重(密度)
1.314 · 1.314±0.06 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
soluble in Methanol
外見
powder to crystal

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 2 件

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 · 2 件

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%)

法規制情報

Regulatory Information · 2 件

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

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

安全データ

wgk
3
tsca
TSCA listed
hs_code
29172090
risk_code
36/37/38-41
化審法
(3)-2685
hazard_code
Xi

化学と産業

用途と製造

General Manufacturing Information1,3-Cyclohexanedicarboxylic acid: ACTIVE

応用分野

使用1,3-Cyclohexanedicarboxylic acid can be used in the synthesis of organic materials and liquid crystal materials.

上流・下流製品情報

サプライヤー100 社

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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