1-Methyl-1H-indole-5-boronic acid

HCID 2759867

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 192182-55-1
표준 SMILES: Cn1ccc2cc(B(O)O)ccc21
InChIKey: SYWDZJWBRYIJJB-UHFFFAOYSA-N
분자식: C9H10BNO2
평균 분자량: 174.99 g/mol
단동위원소 질량: 175.0804587

이름 및 식별자

우선 이름: 1-Methyl-1H-indole-5-boronic acid
IUPAC: (1-methylindol-5-yl)boronic acid
영어명: 1-METHYL-1H-INDOLE-5-BORONIC ACID 2,2-DIMETHYL PROPANE DIOL-1,3-CYCLIC ESTER
분자식: C9H10BNO2
분자량: 174.99

이름 및 동의어

1-Methyl-1H-indole-5-boronic acidRefChem:433869675-110-0192182-55-1N-Methylindole-5-boronic acid1-Methylindole-5-boronic acid(1-methyl-1H-indol-5-yl)boronic acidn-methylindol-5-boronic acid(1-methylindol-5-yl)boronic Acid1-methyl-1H-indol-5-ylboronic acidMFCD03412070Boronic acid, B-(1-methyl-1H-indol-5-yl)-

이름 더 보기

AKOS BRN-1018AKOS BRN-01671-Methylindole-5-BoronicN-methyll-5-boronic acid5-Borono-1-methyl-1H-indole1-Methylindole-5-boronicaci

1-methyl-5-indoleboronic acid1-Methyl-5-indolylboronic acid1-Methylindole-5-boronicacidBoronic acid, (1-methyl-1H-indol-5-yl)-1-Methyl- 5-indolylboronic acidSCHEMBL3104391-methyl-1h-indole-5-boronicN-methyl indole-5-boronic acid

데이터베이스 식별자

CAS: 192182-55-1
PubChem CID: 2759867
DTXSID: DTXSID40374954
EC Number: 675-110-0
Nikkaji: J852.957D

물성

구조 계산 물성

극성 표면적: 45.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 188

물리화학적 성질

끓는 점: 402.6 · 402.6±37.0 °C(Predicted)
밀도: 1.16 · 1.16±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 8.99 · 8.99±0.30(Predicted)
물리적 상태: 가루
색상: 회백색
InChI: 1S/C9H10BNO2/c1-11-5-4-7-6-8(10(12)13)2-3-9(7)11/h2-6,12-13H,1H3
InChIKey: SYWDZJWBRYIJJB-UHFFFAOYSA-N
SMILES: CN(C=C1)C2=C1C=C(C=C2)B(O)O

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (16.7%)；Eye Irrit. 2 (83.3%)；STOT SE 3 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2933299090
risk_code: 36/37/38-22-41-37/38
hazard_code: Xi,Xn
safety_code: 26-36/37/39-39
위험 등급: IRRITANT
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

수소화나트륨 붕산트리메틸 노르말헥산 질소 tert-부틸리튬 5-Bromoindole 사이클로헥세인 수소화칼륨 1,2-다이메톡시에테인 요오드 메탄

공급사66 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

天津羲泽润科技有限公司18622687818 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

화합물 노트

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