CAS 5735-53-5 MFCD02181098-3,4-Dihydro-2H-1,4-Benzoxazine 3,4-二氢-2H-1,4-苯并噁嗪 TAO{mole}

3,4-Dihydro-2H-1,4-Benzoxazine 3,4-二氢-2H-1,4-苯并噁嗪

CAS 5735-53-5 MFCD02181098

化学结构图

SMILES: c1ccc2c(c1)NCCO2

化学属性

Mol. Formula	C8H9NO
Mol. Weight	135.16
Melting Point	BP: 85 @ 1 mBar
TSCA	No
Boiling Point	250.6°C at 760 mmHg
Density
Refractive index	1.5950 to 1.5990

别名和识别编码

Chemical Name	3,4-Dihydro-2H-1,4-Benzoxazine
CAS Number	5735-53-5
Alfabeta Name	dihydrobenzoxazine
MDL Number	MFCD02181098
Synonym	Benzomorpholine {LY} Benzomorpholine {} {LY} Benzomorpholine {} {} {LY} Benzomorpholine {} {} {} {LY} Benzomorpholine {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzom
Chemical Name Translation	3,4-二氢-2H-1,4-苯并噁嗪
EC Number
Beilstein Registry Number
LabNetwork Molecule ID	LN00002355
PubChem Substance ID	585096
Reaxys-RN	3918
InChI	InChI=1S/C8H9NO/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9H,5-6H2
Canonical SMILES	C12=CC=CC=C1NCCO2

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安全信息

Safety Statements

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；
S37 Wear suitable gloves 戴适当手套；
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；

Risk Statements

R22 Harmful if swallowed 吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

GHS Symbol

WGK Germany3

Signal word Warning

Hazard Codes Xn

UN Number

Precautionary statements

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。
P403 Store in a well-ventilated place. 储存在通风良好的地方。
P501 Dispose of contents/container to..… 处理内容物/容器.....
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P302+P352+P332+P313+P362+P364
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P305+P351+P338+P337+P313
P302
P305 IF IN EYES: 如果进入眼睛
P403+P235

RTECS

Packing Group

Hazard statements

H227 Combustible liquid 可燃液体

Storage condition RT, protect from light {LY} RT, protect from light {} {LY} RT, protect from light {} {} {LY} RT, protect from light {} {} {} {LY} RT, protect from light {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3

Lipinski's Rule of 5

H-bond Donors

H-bond Acceptors

Rotatable Bonds

LogP