4-Methyl-3-nitrobenzeneboronic acid

HCID 2773515

기본 정보

CAS
80500-27-2
표준 SMILES
Cc1ccc(B(O)O)cc1[N+](=O)[O-]
InChIKey
OASVXBRTNVFKFS-UHFFFAOYSA-N
분자식
C7H8BNO4
평균 분자량
180.96 g/mol
단동위원소 질량
181.0546379

이름 및 식별자

우선 이름
4-Methyl-3-nitrobenzeneboronic acid
IUPAC
(4-methyl-3-nitrophenyl)boronic acid
영어명
4-Methyl-3-nitrophenylboronic acid
분자식
C7H8BNO4
분자량
180.95

이름 및 동의어

4-METHYL-3-NITROBENZENEBORONIC ACIDRefChem:525250672-692-84-Methyl-3-nitrophenylboronic acid80500-27-2(4-methyl-3-nitrophenyl)boronic acidMFCD001915504-methyl-3-nitrophenyl boronic acid(4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron3-Nitro-p-tolylboronic Acid4-Methyl-3-nitrophenylboronicacid(4-methyl-3-nitro-phenyl)boronic Acid
이름 더 보기
AKOS BRN-0124RARECHEM AH PB 0107-3-nitrobenzeneboronic acid4-Methyl-3-Nitrophenylboronic2-Nitrotoluene-4-boronic acid4-Chloro-3-methyphenylboronic acid
Boronic acid, (4-methyl-3-nitrophenyl)-3-NITRO-4-METHYLPHENYLBORONIC ACID3-NITRO-4-METHYLBENZENEBORONIC ACIDSCHEMBL177216SCHEMBL29825545DTXSID00378514SBB0641274-methyl-3-nitro-phenyl boronic acid

데이터베이스 식별자

CAS
80500-27-2
PubChem CID
2773515
DTXSID
DTXSID00378514
EC Number
672-692-8
Nikkaji
J534.128K

물성

구조 계산 물성

극성 표면적
86.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
13

물리화학적 성질

녹는점
265 · 265-270 °C (lit.)
끓는 점
356.7 · 356.7±52.0 °C(Predicted)
밀도
1.33 · 1.33±0.1 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도
soluble in Methanol,Acetone
물리적 상태
powder to crystal

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 7 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 7 reports by companies.;There are 3 notifications provided by 6 of 7 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. 4 (14.3%);Acute Tox. 4 (14.3%);Skin Irrit. 2 (85.7%);Eye Irrit. 2 (85.7%);Acute Tox. 4 (14.3%);STOT SE 3 (71.4%)

안전 데이터

wgk
3
HS 번호
29319090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37
위험 등급
IRRITANT

화학 및 산업

응용 분야

용도Reactant for:• ;Preparation of inhibitors of lactate dehydrogenase against cancer cell proliferation1• ;Suzuki-Miyaura coupling reactions2,3• ;Preparation of imidazothiazoles as iodide efflux inhibitors in thyrocytes4

공급사90 곳

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

관련 반응

19건

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