CAS 4100-13-4 MFCD00052099-1,2,3-Thiadiazole-4-carboxylic acid 1,2,3-噻二唑-4-羧酸 -LabNovo

1,2,3-Thiadiazole-4-carboxylic acid 1,2,3-噻二唑-4-羧酸

CAS 4100-13-4 MFCD00052099

化学结构图

SMILES: O=C(O)c1csnn1

化学属性

Mol. Formula	C3H2N2O2S
Mol. Weight	130.13
Melting Point	224 °C
Density	1.422
TSCA	No
Boiling Point	322.3 °C at 760 mmHg

别名和识别编码

Chemical Name	1,2,3-Thiadiazole-4-carboxylic acid
CAS Number	4100-13-4
Alfabeta Name	THIADIAZOLECARBOXYLICACID 1234---,,
MDL Number	MFCD00052099
EC Number	000-000-0
Beilstein Registry Number	113707
Synonym	1,2,3-Thiadiazole-4-carboxylic acid {LY} 1,2,3-Thiadiazole-4-carboxylic acid 1,2,3-thiadiazole-4-carboxylic acid 123-T-4CA {} {LY} 1,2,3-Thiadiazole-4-carboxylic acid {} {} {LY} 1,2,3-Thiadiazole-4-carboxylic acid {} {} {} {LY} 1,2,3-Thiadiazole-4-carboxylic acid {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carboxylic acid {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carboxylic acid {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carboxylic acid {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carboxylic acid {} {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carboxylic acid {} {} {} {} {} {} {} {} {}
Chemical Name Translation	1,2,3-噻二唑-4-羧酸
PubChem Substance ID	351418
LabNetwork Molecule ID	LN00001465
InChI	InChI=1S/C3H2N2O2S/c6-3(7)2-1-8-5-4-2/h1H,(H,6,7)
Canonical SMILES	C1=C(C(=O)O)N=NS1

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

安全信息

Warnings IRRITANT

Signal word

GHS Symbol

WGK Germany3

Safety Statements

S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P264+P265
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P302+P352
P304+P340
P305+P351+P338
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P319
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P332+P313
P332+P317
P337+P313
P337+P317
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P362+P364
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard Codes Xi

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5

H-bond Acceptors

Rotatable Bonds

H-bond Donors

LogP

5.405000000000000e-001

其他信息

上游原料:乙酸乙酯 --> 氧氯化硫 --> 甲苯 --> 丙酮酸 --> 肼基甲酸乙酯
Alfa Aesar:1，2，3-噻二唑-4-羧酸,97% 1,2,3-Thiadiazole-4-carboxylic acid, 97%(4100-13-4)
MOL 文件:4100-13-4.mol
1,2,3-噻重氮-4-羧酸价格(试剂级):更新日期产品编号产品名称包装价格 2010/06/21 SEW00600CB 1,2,3-噻重氮-4-羧酸 1,2,3-thiadiazole-4-carboxylic acid 250 MG 870元 2010/06/21 SEW00600DA 1,2,3-噻重氮-4-羧酸 1,2,3-thiadiazole-4-carboxylic acid 1 GR 1590元 2010/05/25 B20842 1，2，3-噻二唑-4-羧酸, 97% 1,2,3-Thiadiazole-4-carboxylic acid, 97% 250mg 823元
检测方法:T,NMR
Hazard Note:Irritant
Acros Organics:1,2,3-噻重氮-4-羧酸 1,2,3-thiadiazole-4-carboxylic acid(4100-13-4)