CAS 22876-19-3 MFCD00175241-5-Chlorobenzo[D]Oxazole-2(3H)-Thione 5-氯-2-巯基苯并恶唑 TAO{mole}

5-Chlorobenzo[D]Oxazole-2(3H)-Thione 5-氯-2-巯基苯并恶唑

CAS 22876-19-3 MFCD00175241

化学结构图

SMILES: SC1=NC2C=C(Cl)C=CC=2O1

化学属性

Mol. Formula	C7H4ClNOS
Mol. Weight	185.63
Melting Point	280-285 °C (lit.)
TSCA	No

别名和识别编码

Chemical Name	5-Chlorobenzo[D]Oxazole-2(3H)-Thione
CAS Number	22876-19-3
Alfabeta Name	CHLOROBENZOXAZOLETHIOL 5132-----,
MDL Number	MFCD00175241
PubChem Substance ID	24878329
Synonym	5-Chloro-2-mercaptobenzoxazole 5-氯-2-巯基苯并噁唑 5-Chloro-2-mercaptobenzoxazole; 5-Chloro-1,3-benzoxazole-2-thiol
Wiswesser Line Notation	T56 BN DOJ CSH HG
Chemical Name Translation	5-氯-2-巯基苯并恶唑

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安全信息

Warnings IRRITANT

WGK Germany3

GHS Symbol

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。
P305+P351+P338

Signal word Warning

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H335 May cause respiratory irritation 可能导致呼吸道刺激
H302 Harmful if swallowed 吞食有害
H319 Causes serious eye irritation 严重刺激眼睛

Hazard Codes Xn

RTECSDM4760000

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

Safety Statements

S36 Wear suitable protective clothing 穿戴适当的防护服；
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；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；

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
R22 Harmful if swallowed 吞咽有害

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 120 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MDCHAG Medicinal Chemistry: A Series of Monographs.  (Academic Press, Inc.,
   1 E. First St., Duluth, MN 55802)  V.1-    1963-  Volume(issue)/page/year:
   4(1),337,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MDCHAG Medicinal Chemistry: A Series of Monographs.  (Academic Press, Inc.,
   1 E. First St., Duluth, MN 55802)  V.1-    1963-  Volume(issue)/page/year:
   4(1),339,1964

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3

Lipinski's Rule of 5

H-bond Acceptors

Rotatable Bonds

H-bond Donors

LogP