CAS 330641-16-2 O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate (HCID 24898642)

이름 및 식별자

우선 이름: O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate
IUPAC: [(6-chlorobenzotriazol-1-yl)oxy-(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate
영어명: O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate
분자식: C11H15BClF4N5O
분자량: 355.53

이름 및 동의어

O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborateRefChem:855137608-824-8330641-16-2C11H15BClF4N5O1-[Bis(dimethylamino)methylen]-5-chlorobenzotriazolium 3-oxide tetrafluoroborate[(6-chlorobenzotriazol-1-yl)oxy-(dimethylamino)methylidene]-dimethylazanium;tetrafluoroborate1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-5-chloro-,tetrafluoroborate(1-), 3-oxide876593-69-0TCTU ReagentSCHEMBL419612SCHEMBL1069721

이름 더 보기

TCTUTCLu1-H-BENZOTCAS:330641-16-2o-(1H-6-chlorobenzotriazole-1--tetramethyluronium tetrafluoroborateO-(6-Chlorobenzotriazol-1-yl)-N,N,N′,N′-tetramO-(6-Chlorobenzotriazol-1-yl)-N,N,N′,N′-tetrametTCTU O-(6-Chloro-1- hydrocibenzotriazol-1-yl)- -1,1,3,3-O-(6-Chlorobenzotriazol-1-yl)-N,N,N'',N''-tetramethyluronium

SCHEMBL29467313KTC-1010-PIDTXSID50647863GBGVQFJZGHBZMC-UHFFFAOYSA-NMFCD04973270AKOS015909768AKOS015965056AKOS030228498

데이터베이스 식별자

CAS: 330641-16-2
PubChem CID: 24898642
DTXSID: DTXSID50647863
EC Number: 608-824-8

물성

구조 계산 물성

극성 표면적: 46.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 3
무거운 원자 수: 23
형식 전하: 0
복잡도: 337

물리화학적 성질

녹는점: 201 · 201-205 °C
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 10 %, · DMF: 10%, 투명
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
주요 응용: 펩타이드 합성
InChI: InChI=1S/C11H15ClN5O.BF4/c1-14(2)11(15(3)4)16-9-6-5-8(12)7-10(9)17(18)13-16;2-1(3,4)5/h5-7H,1-4H3;/q+1;-1
InChIKey: LWGUJGKYJYAQDC-UHFFFAOYSA-N
SMILES: [B+3]([F-])([F-])([F-])[F-].C(=[N+]1/N=N(=O)C2=CC(Cl)=CC=C/12)(\N(C)C)/N(C)C

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H228 (33.3%): Flammable solid [Danger Flammable solids]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P240, P241, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 CategoriesFlam. Sol. 1 (33.3%)；Acute Tox. 4 (33.3%)；Skin Corr. 1C (33.3%)；Skin Irrit. 2 (33.3%)；Skin Sens. 1A (33.3%)；Eye Dam. 1 (33.3%)；Eye Irrit. 2 (33.3%)；STOT SE 3 (33.3%)

안전 데이터

wgk: 3
ridadr: 1759
HS 번호: 29339900
risk_code: 20/21/22-36/37/38
hazard_code: Xi,F,Xn
safety_code: 26-36-60-37
포장분류: III
위험 등급: 8
F 고인화성물질: 10
Hazard Classifications: Flam. Sol. 1Skin Sens. 1A
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

응용 분야 · 1건

용도Coupling reagent for: Synthesis via plate-based multiple parallel centrifugation synthesizer Solid-phase synthesis of cyclic gramicidin analogsComparison of automatic multiple peptide synthesizersSolid-phase peptide coupling with lack of racemization