CAS 94-81-5 MFCD00002820-MCPB 4-(4-氯-2-甲基苯氧基)丁酸 TAO{mole}

MCPB 4-(4-氯-2-甲基苯氧基)丁酸

CAS 94-81-5 MFCD00002820

化学结构图

SMILES: Cc1cc(Cl)ccc1OCCCC(=O)O

化学属性

Mol. Formula	C11H13ClO3
Mol. Weight	228.67
Solubility	不溶于水、苯酚，溶于乙醇。
Density	1.23
Melting Point	101-102 °C
Boiling Point	327.31 °C at 760 mmHg

别名和识别编码

Chemical Name	MCPB
Synonym	4-(4-Chloro-2-methylphenoxy)butanoic acid {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {}
MDL Number	MFCD00002820
PubChem Substance ID	7207
Beilstein Registry Number	2215202
CAS Number	94-81-5
EC Number	202-365-3
Chemical Name Translation	4-(4-氯-2-甲基苯氧基)丁酸
Wiswesser Line Notation	QV3OR DG B1
InChI	InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
Canonical SMILES	CC1=CC(=CC=C1OCCCC(=O)O)Cl

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安全信息

RTECSES8575000

GHS Symbol

Precautionary statements

P501 Dispose of contents/container to..… 处理内容物/容器.....
P273 Avoid release to the environment. 避免释放到环境中。

Hazard statements

H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。

Hazard Codes N

WGK Germany2

Personal Protective Equipment Eyeshields, Gloves

Signal word Warning

Safety Statements

S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；

Risk Statements

R50/53

Storage condition 0-6°C

UN Number UN3077 9/PG 3

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 680 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   WRPCA2 World Review of Pest Control.  (London, UK)  V.1-10, 1962-71.
   Discontinued.  Volume(issue)/page/year: 9,119,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FMCHA2 Farm Chemicals Handbook.  (Meister Pub., 37841 Euclid Ave.,
   Willoughy, OH 44094)  Volume(issue)/page/year: -,C303,1991

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 13500 umol/L
REFERENCE :
   IARCCD IARC Scientific Publications.  (Geneva, Switzerland)  No.1-26,
   1971-78.  For publisher information, see IAPUDO.  Volume(issue)/page/year:
   10,161,1974

其他信息

RTECS号:ES8575000
外观性质:结晶固体。
图谱信息:2-甲基-4-氯苯氧基丁酸(94-81-5)核磁图( 13 CNMR) 2-甲基-4-氯苯氧基丁酸(94-81-5)质谱(MS) 2-甲基-4-氯苯氧基丁酸(94-81-5)红外图谱(IR2) 2-甲基-4-氯苯氧基丁酸(94-81-5)核磁图( 1 HNMR) 2-甲基-4-氯苯氧基丁酸(94-81-5)红外图谱(IR1)
MOL 文件:94-81-5.mol