N,N-BIS(2-클로로에틸)-P-톨루엔술폰아미드

N,N-bis(2-chloroethyl)-p-toluenesulphonamide

HCID 96039CAS 42137-88-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1
InChIKey
PTVBBIMKLOMGSY-UHFFFAOYSA-N
분자식
C11H15Cl2NO2S
평균 분자량
296.2 g/mol
단동위원소 질량
295.0200553

이름 및 식별자

우선 이름
N,N-bis(2-chloroethyl)-p-toluenesulphonamide
IUPAC
N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamide
현지명
N,N-BIS(2-클로로에틸)-P-톨루엔술폰아미드
영어명
N,N-Bis(2-chloroethyl)-p-toluenesulfonamide
분자식
C11H15Cl2NO2S
분자량
296.21

이름 및 동의어

N,N-Bis(2-chloroethyl)-p-toluenesulphonamideEINECS 255-677-7DTXSID20194970NSC 49364RefChem:822129DTXCID60117461255-677-742137-88-2N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamideN,N-Bis(2-chloroethyl)-p-toluenesulfonamideMFCD00018944C11H15Cl2NO2S
이름 더 보기
N,N-BIS(2-클로로에틸)-P-톨루엔술폰아미드DK780LABOTEST-BB LT00455209N,N-Bis(2-chloroethyl)Tolbutamide Impurity 13N-BIS(2-CHLOROETHYL)-P-TOLUENESULFONAMIDEN,N-Bis(-chloroethyl)-p-toluenesulfonamideN,N-BIS(B-CHLOROETHYL)-P-TOLUENESULFONAMIDE
N,N-bis(2-chloroethyl)-4-methylbenzene-1-sulfonamideNSC-49364Benzenesulfonamide, N,N-bis(2-chloroethyl)-4-methyl-N,N-Bis(2-chloroethyl)-p-toluenesulfonamide, Technical Grade 90%N,N-Bis(.beta.-chloroethyl)-p-toluenesulfonamideN,N-Bis(2-chloroethyl)-p-toluenesulfonamide, Technical Grade 90per centBenzenesulfonamide, N,N-bis(2-chloroethyl)-4-methyl-; p-Toluenesulfonamide, N,N-bis(2-chloroethyl)- (6CI,7CI); N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide; N,N-Bis(2-chloroethyl)-4-methylbenzensulfonamide; N,N-Bis(2-chloroethyl)-p-toluenesulfonamide; NSC 49364NSC49364

데이터베이스 식별자

CAS
42137-88-2
PubChem CID
96039
DTXSID
DTXSID20194970
UNII
QX3W3PH4DC
EC Number
255-677-7
Nikkaji
J267.314B

물성

구조 계산 물성

XLogP
2.6
극성 표면적
45.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
6
무거운 원자 수
17

물리화학적 성질

녹는점
43 · 43-50 °C
끓는 점
409.1 · 409.1±55.0 °C(Predicted)
밀도
1.2228 · 1.2228 (rough estimate)
굴절률
1.6 · 1.6000 (estimate)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
클로로포름에 용해됨

화학적 성질

GREY TO GREY-BROWN POWDER

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.

Danger

H301 (84.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 45 reports by companies.；There are 3 notifications provided by 44 of 45 reports by companies with hazard statement code(s).；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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (84.4%)；Skin Irrit. 2 (13.3%)；Eye Irrit. 2 (13.3%)

안전 데이터

HS 번호
29350090
risk_code
36/37/38
hazard_code
Xi
safety_code
24/25
기존화학 물질
KE-23514

화학 및 산업

응용 분야

용도N,N-Bis(2-chloroethyl)-p-toluenesulfonaMide can be used as an intermediate used in the process for preparation of Cetirizine (C281100).

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

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